2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6466-1079 |
| Compound Name: | 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C20 H23 F3 N4 O3 S |
| Smiles: | CN1CCN(CC1)C(CSc1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8907 |
| logD: | 2.8039 |
| logSw: | -3.2439 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.118 |
| InChI Key: | FMWYDJOWLPWEPL-UHFFFAOYSA-N |