10967/149 - QDB Compounds

QsarDB Repository

Narasimhan, B.; Ansari, A.M.; Singh, N.; Mourya, V.; Dhakee, A.S. A QSAR Approach for the Prediction of Stability of Benzoglycolamide Ester Prodrugs. Chem. Pharm. Bull. 2006, 54, 1067–1071.

Compound

ID:23
Name:(dihexylcarbamoyl)methyl benzoate
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C21H33NO3/c1-3-5-7-12-16-22(17-13-8-6-4-2)20(23)18-25-21(24)19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3

Properties

logK: Hydrolytic rate constant as logK

ValueSource or prediction
-1.06

experimental value

-1.06

Tab4.model3: Model for benzoglycolamide ester prodrugs (Training set)