ethyl 4-oxo-4-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)butanoate
Chemical Structure Depiction of
ethyl 4-oxo-4-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)butanoate
ethyl 4-oxo-4-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)butanoate
Compound characteristics
| Compound ID: | V007-2905 |
| Compound Name: | ethyl 4-oxo-4-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)butanoate |
| Molecular Weight: | 476.46 |
| Molecular Formula: | C22 H23 F3 N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCN(CC1)c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7827 |
| logD: | 2.7808 |
| logSw: | -3.1065 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.951 |
| InChI Key: | ZZCLUOUEMISHGA-UHFFFAOYSA-N |