(2S)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]butanamide
Chemical Structure Depiction of
(2S)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]butanamide
(2S)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]butanamide
Compound characteristics
| Compound ID: | C561-0232 |
| Compound Name: | (2S)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]butanamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | CSCC[C@@H](C(Nc1ccc(cc1)S(N1CCCCC1)(=O)=O)=O)N1Cc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3085 |
| logD: | 3.3071 |
| logSw: | -3.787 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.05 |
| InChI Key: | JJYDJVOWTSDXSN-QFIPXVFZSA-N |