N-{4-[1-{2-[(3-methylbutyl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-{2-[(3-methylbutyl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-{2-[(3-methylbutyl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0919 |
| Compound Name: | N-{4-[1-{2-[(3-methylbutyl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCCC(C)C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6344 |
| logD: | 3.6338 |
| logSw: | -3.7708 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.387 |
| InChI Key: | PUVIJWUZQNCWNG-QHCPKHFHSA-N |