N2-(5-CHLORO-2-METHYLPHENYL)-N3-ISOPROPYL-5,6-DIMETHYLPYRAZINE-2,3-DICARBOXAMIDE

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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 AURXONOXTNIUDO-UHFFFAOYSA-N
Smiles CC(C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc2cc(Cl)ccc2C
InChI
InChI=1S/C18H21ClN4O2/c1-9(2)20-17(24)15-16(22-12(5)11(4)21-15)18(25)23-14-8-13(19)7-6-10(14)3/h6-9H,1-5H3,(H,20,24)(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21ClN4O2
Molecular Weight 360.84
AlogP 2.82
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Veronica persica at 500 g/ha after 2 weeks Veronica persica 95.0 %
Herbicidal activity against Galium spurium var. echinospermon (Wally.) Hayek at 500 g/ha after 2 weeks Galium spurium 10.0 %
Herbicidal activity against Xanthium strumarium (cocklebur) 500 g/ha after 2 weeks Xanthium strumarium 50.0 %
Herbicidal activity against Abutilon theophrasti (velvetleaf) at 500 g/ha after 2 weeks Abutilon theophrasti 10.0 %
Herbicidal activity against Avena fatua at 500 g/ha after 2 weeks Avena fatua 10.0 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) at 500 g/ha after 2 weeks Echinochloa crus-galli 10.0 %
Herbicidal activity against Glycine max (soybean) at 500 g/ha after 2 weeks Glycine max 10.0 %
Herbicidal activity against Triticum aestivum (wheat) at 500 g/ha after 2 weeks Triticum aestivum 10.0 %
Herbicidal activity against Veronica persica at 250 g/ha after 2 weeks Veronica persica 50.0 %
Herbicidal activity against Galium spurium var. echinospermon (Wally.) Hayek at 250 g/ha after 2 weeks Galium spurium 10.0 %
Herbicidal activity against Xanthium strumarium (cocklebur) 250 g/ha after 2 weeks Xanthium strumarium 50.0 %
Herbicidal activity against Abutilon theophrasti (velvetleaf) at 250 g/ha after 2 weeks Abutilon theophrasti 10.0 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) at 250 g/ha after 2 weeks Echinochloa crus-galli 10.0 %
Herbicidal activity against Avena fatua at 250 g/ha after 2 weeks Avena fatua 10.0 %
Herbicidal activity against Glycine max (soybean) at 250 g/ha after 2 weeks Glycine max 10.0 %
Herbicidal activity against Triticum aestivum (wheat) at 250 g/ha after 2 weeks Triticum aestivum 10.0 %
Herbicidal activity against Veronica persica at 5000 g/ha after 2 weeks Veronica persica 95.0 %
Herbicidal activity against Galium spurium var. echinospermon (Wally.) Hayek at 5000 g/ha after 2 weeks Galium spurium 95.0 %
Herbicidal activity against Xanthium strumarium (cocklebur) 5000 g/ha after 2 weeks Xanthium strumarium 95.0 %
Herbicidal activity against Abutilon theophrasti (velvetleaf) at 5000 g/ha after 2 weeks Abutilon theophrasti 95.0 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) at 5000 g/ha after 2 weeks Echinochloa crus-galli 70.0 %
Herbicidal activity against Avena fatua at 5000 g/ha after 2 weeks Avena fatua 50.0 %
Herbicidal activity against Glycine max (soybean) at 5000 g/ha after 2 weeks Glycine max 10.0 %
Herbicidal activity against Triticum aestivum (wheat) at 5000 g/ha after 2 weeks Triticum aestivum 30.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2286621
PubChem 76312887
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