1-[4-(1-methyl-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-(1-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
1-[4-(1-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y042-6855 |
| Compound Name: | 1-[4-(1-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]ethan-1-one |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C24 H30 N4 O S |
| Smiles: | Cn1c2ccccc2nc1C1CCN(CC1)C(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7713 |
| logD: | 3.7336 |
| logSw: | -3.8318 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8646 |
| InChI Key: | NKVIISSVHFWMJQ-UHFFFAOYSA-N |