{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}[4-fluoro-2-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}[4-fluoro-2-(trifluoromethyl)phenyl]methanone
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}[4-fluoro-2-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V002-5284 |
| Compound Name: | {4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}[4-fluoro-2-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 514.44 |
| Molecular Formula: | C24 H18 F4 N6 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc(cc1C(F)(F)F)F)=O)c1nc2nccc(c3ccc4c(c3)OCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0791 |
| logD: | 4.0791 |
| logSw: | -4.3532 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.164 |
| InChI Key: | HCHXJAMZGDFGGJ-UHFFFAOYSA-N |