{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methanone
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V006-5001 |
| Compound Name: | {4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 508.86 |
| Molecular Formula: | C23 H17 Cl F4 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1c(ccc(c1F)[Cl])C(F)(F)F)=O)c1nccc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5155 |
| logD: | 5.5148 |
| logSw: | -6.2584 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.921 |
| InChI Key: | WFZGTBQHHYHTER-UHFFFAOYSA-N |