N-(3-methylbutyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-methylbutyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(3-methylbutyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
Compound ID: | C197-0340 |
Compound Name: | N-(3-methylbutyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
Molecular Weight: | 343.42 |
Molecular Formula: | C19 H25 N3 O3 |
Smiles: | CC(C)CCNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.839 |
logD: | 0.839 |
logSw: | -2.3423 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.579 |
InChI Key: | GYHIHXJLQCPAKT-UHFFFAOYSA-N |