(2RS)-N-[4-(azepane-1-sulfonyl)phenyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
(2RS)-N-[4-(azepane-1-sulfonyl)phenyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
(2RS)-N-[4-(azepane-1-sulfonyl)phenyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | C561-0412 |
| Compound Name: | (2RS)-N-[4-(azepane-1-sulfonyl)phenyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 563.74 |
| Molecular Formula: | C30 H33 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0077 |
| logD: | 5.0019 |
| logSw: | -4.6907 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.109 |
| InChI Key: | HTVFWLYQGDIKBE-NDEPHWFRSA-N |