N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Compound characteristics
| Compound ID: | Y042-6746 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide |
| Molecular Weight: | 428.62 |
| Molecular Formula: | C22 H28 N4 O S2 |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6281 |
| logD: | 3.6274 |
| logSw: | -4.0171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.126 |
| InChI Key: | JZPZHJBITVIEFN-IBGZPJMESA-N |