(2S)-N-[4-(azepane-1-sulfonyl)phenyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
(2S)-N-[4-(azepane-1-sulfonyl)phenyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
(2S)-N-[4-(azepane-1-sulfonyl)phenyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | C561-0074 |
| Compound Name: | (2S)-N-[4-(azepane-1-sulfonyl)phenyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.8621 |
| logD: | 4.8585 |
| logSw: | -4.6627 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.109 |
| InChI Key: | YQPWXWDDKSRSJI-MHZLTWQESA-N |