N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6739 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CCN1Cc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5843 |
| logD: | 2.5836 |
| logSw: | -3.1645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.256 |
| InChI Key: | IKXFSEJBJSEQPJ-IBGZPJMESA-N |