N-(4-{1-[2-(2-methylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
Chemical Structure Depiction of
N-(4-{1-[2-(2-methylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
N-(4-{1-[2-(2-methylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
Compound characteristics
| Compound ID: | F714-0910 |
| Compound Name: | N-(4-{1-[2-(2-methylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(Nc1ccccc1C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9459 |
| logD: | 3.9453 |
| logSw: | -3.8391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.254 |
| InChI Key: | KDZVHUHZRQCEQZ-VWLOTQADSA-N |