1-(4-benzylpiperazin-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0288 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 502.56 |
| Molecular Formula: | C25 H25 F3 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)nc(n1)SCC(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8707 |
| logD: | 4.861 |
| logSw: | -4.681 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.465 |
| InChI Key: | UAOMXZNGGWKOPB-UHFFFAOYSA-N |