1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y042-6854 |
| Compound Name: | 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | C1CN(CCC1c1nc2ccccc2[nH]1)C(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5428 |
| logD: | 3.5357 |
| logSw: | -3.6053 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.145 |
| InChI Key: | HPLXZUGWXOTBRX-UHFFFAOYSA-N |