2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 7213-0380 |
| Compound Name: | 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C21 H25 F3 N4 O3 S |
| Smiles: | CCN1CCN(CC1)C(CSc1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2354 |
| logD: | 3.1165 |
| logSw: | -3.3672 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.179 |
| InChI Key: | OGHAFRXOOGVWJM-UHFFFAOYSA-N |