1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0374 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C24 H22 F4 N4 O S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CSc1nc(cc(C(F)(F)F)n1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9174 |
| logD: | 4.9077 |
| logSw: | -4.9698 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.922 |
| InChI Key: | AUSPZXQHSJYZDM-UHFFFAOYSA-N |