(2S)-N-[4-(azepane-1-sulfonyl)phenyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
(2S)-N-[4-(azepane-1-sulfonyl)phenyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
(2S)-N-[4-(azepane-1-sulfonyl)phenyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | C561-0233 |
| Compound Name: | (2S)-N-[4-(azepane-1-sulfonyl)phenyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C25 H31 N3 O4 S2 |
| Smiles: | CSCC[C@@H](C(Nc1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O)N1Cc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8044 |
| logD: | 3.803 |
| logSw: | -3.8431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.381 |
| InChI Key: | SAIVJDZYVRFNSN-QHCPKHFHSA-N |