PHENYL 6-METHOXYBENZO[D]THIAZOL-2-YLCARBAMATE

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Molecule Category Free-form
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 CVBDOCQXYLTRHB-UHFFFAOYSA-N
Smiles COc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
InChI
InChI=1S/C15H12N2O3S/c1-19-11-7-8-12-13(9-11)21-14(16-12)17-15(18)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12N2O3S
Molecular Weight 300.33
AlogP 3.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 88.69
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2297569
PubChem 731161
ZINC ZINC00144535
CONTENTS