methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate
Chemical Structure Depiction of
methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate
methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate
Compound characteristics
| Compound ID: | V012-9879 |
| Compound Name: | methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate |
| Molecular Weight: | 490.48 |
| Molecular Formula: | C23 H25 F3 N6 O3 |
| Salt: | not_available |
| Smiles: | COC(CCCCC(N1CCN(CC1)c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7892 |
| logD: | 2.7873 |
| logSw: | -3.1745 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | SKBTVHJDVXGTHZ-UHFFFAOYSA-N |