2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8018-2120 |
| Compound Name: | 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C21 H21 F3 N4 O2 S |
| Smiles: | COc1ccc2c(c1)[nH]c(n2)SCC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.72 |
| logD: | 3.1499 |
| logSw: | -4.1376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.176 |
| InChI Key: | ZVHJFLTUXZXVPH-UHFFFAOYSA-N |