N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(2,5-dimethyl-1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(2,5-dimethyl-1H-pyrrol-1-yl)butanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(2,5-dimethyl-1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y042-2009 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(2,5-dimethyl-1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | Cc1ccc(C)n1CCCC(N[C@@H](CCSC)c1nc2ccccc2[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7671 |
| logD: | 2.7664 |
| logSw: | -3.0895 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.755 |
| InChI Key: | CFZVRZMLQAGNOL-IBGZPJMESA-N |