3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)propan-1-one
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | 6466-1132 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 454.47 |
| Molecular Formula: | C20 H21 F3 N4 O3 S |
| Smiles: | CN1CCN(CC1)C(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 2.9618 |
| logSw: | -3.4348 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.973 |
| InChI Key: | WFRULRBNPKEIQF-UHFFFAOYSA-N |