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

/static/temp/default.svg Search structure
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 SDWVIOLBHKVKEI-UHFFFAOYSA-N
Smiles Cc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
InChI
InChI=1S/C15H12N2O2S/c1-10-7-8-12-13(9-10)20-14(16-12)17-15(18)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12N2O2S
Molecular Weight 284.33
AlogP 4.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 79.46
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL2297714
PubChem 19174286
CONTENTS