2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-2417 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 382.34 |
| Molecular Formula: | C17 H17 F3 N4 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C1NC(C=C(C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8602 |
| logD: | 1.8602 |
| logSw: | -2.6117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.913 |
| InChI Key: | DRTVNBRQCFFSLI-UHFFFAOYSA-N |