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:22
Name:[hexyl(methyl)carbamoyl]methyl benzoate
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C16H23NO3/c1-3-4-5-9-12-17(2)15(18)13-20-16(19)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3

Properties

logK: Hydrolytic rate constant as logK

ValueSource or prediction
-1.2

experimental value

-1.22

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