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:14
Name:(dibutylcarbamoyl)methyl benzoate
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C17H25NO3/c1-3-5-12-18(13-6-4-2)16(19)14-21-17(20)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3

Properties

logK: Hydrolytic rate constant as logK

ValueSource or prediction
-1.05

experimental value

-0.96

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