1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y042-6790 |
| Compound Name: | 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | C1C[C@@H](c2nc3ccccc3[nH]2)N(C1)C(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2488 |
| logD: | 3.2485 |
| logSw: | -3.4537 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.205 |
| InChI Key: | SQGJHEQGQNSAMG-IBGZPJMESA-N |