N-[(1RS)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
Chemical Structure Depiction of
N-[(1RS)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
N-[(1RS)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
Compound characteristics
| Compound ID: | Y043-5794 |
| Compound Name: | N-[(1RS)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C22 H24 N4 O S2 |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CC(c1ccsc1)n1cccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1568 |
| logD: | 4.1561 |
| logSw: | -4.2085 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.901 |
| InChI Key: | RQIZBUKDSBDOPS-XJDOXCRVSA-N |