2-ETHOXY-6-TRIFLUOROMETHYL-N-(5,8-DIMETHOXY-1,2,4-TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)-BENZENESULFONAMIDE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key JJFUWYPZWWSSRL-UHFFFAOYSA-N
Smiles CCOc1cccc(c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2)C(F)(F)F
InChI
InChI=1S/C16H16F3N5O5S/c1-4-29-10-7-5-6-9(16(17,18)19)12(10)30(25,26)23-14-21-13-11(27-2)8-20-15(28-3)24(13)22-14/h5-8H,4H2,1-3H3,(H,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16F3N5O5S
Molecular Weight 447.39
AlogP 2.77
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 125.32
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0
Assay Description Organism Bioactivity Reference
Post-emergence herbicidal activity against three-leaf stage Schoenoplectiella juncoides under green-house condition by water injection treatment method Schoenoplectiella juncoides 3.0 gAi/ha
Post-emergence herbicidal activity against three-leaf stage Echinochloa crus-galli (barnyard grass) under green-house condition by water injection treatment method Echinochloa crus-galli 1.0 gAi/ha
Phytotoxicity against three-leaf stage Oryza sativa (rice) under green-house condition by water injection treatment method Oryza sativa 1.0 gAi/ha
Post-emergence herbicidal activity against Avena fatua compound treated as foliar application measured after 2 weeks Avena fatua 191.0 ppm
Phytotoxicity against Oryza sativa (rice) Oryza sativa 250.0 ppm
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) compound treated as foliar application measured after 2 weeks Digitaria sanguinalis 191.0 ppm
Post-emergence herbicidal activity against Sorghum halepense (Johnson grass) compound treated as foliar application measured after 2 weeks Sorghum halepense 191.0 ppm
Post-emergence herbicidal activity against Setaria faberi (Giant Foxtail) compound treated as foliar application measured after 2 weeks Setaria faberi 191.0 ppm
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) compound treated as foliar application measured after 2 weeks Echinochloa crus-galli 4.0 ppm
Post-emergence herbicidal activity against Alopecurus spp. compound treated as foliar application measured after 2 weeks Alopecurus 191.0 ppm
Post-emergence herbicidal activity against Fallopia convolvulus compound treated as foliar application measured after 2 weeks Fallopia convolvulus 2.0 ppm
Post-emergence herbicidal activity against Stellaria media compound treated as foliar application measured after 2 weeks Stellaria media 2.0 ppm
Post-emergence herbicidal activity against Ipomoea hederacea (ivy-leaved morning glory) compound treated as foliar application measured after 2 weeks Ipomoea hederacea 2.0 ppm
Post-emergence herbicidal activity against Veronica hederifolia compound treated as foliar application measured after 2 weeks Veronica hederifolia 2.0 ppm
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) compound treated as foliar application measured after 2 weeks Abutilon theophrasti 2.0 ppm
Post-emergence herbicidal activity against Amaranthus retroflexus compound treated as foliar application measured after 2 weeks Amaranthus retroflexus 2.0 ppm
Post-emergence herbicidal activity against Ipomoea spp. compound treated as foliar application measured after 2 weeks Ipomoea 2.0 ppm
Post-emergence herbicidal activity against Helianthus spp. compound treated as foliar application measured after 2 weeks Helianthus 2.0 ppm
Post-emergence herbicidal activity against Chenopodium album compound treated as foliar application measured after 2 weeks Chenopodium album 2.0 ppm
Post-emergence herbicidal activity against Datura stramonium compound treated as foliar application measured after 2 weeks Datura stramonium 2.0 ppm
Post-emergence herbicidal activity against Xanthium strumarium (cocklebur) compound treated as foliar application measured after 2 weeks Xanthium strumarium 2.0 ppm
Post-emergence herbicidal activity against three-leaf stage Monochoria vaginalis under green-house condition by water injection treatment method Monochoria vaginalis 1.0 gAi/ha

Cross References

Resources Reference
ChEMBL CHEMBL2289763
PubChem 15477133
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