(2S)-1-oxo-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)propan-2-yl acetate
Chemical Structure Depiction of
(2S)-1-oxo-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)propan-2-yl acetate
(2S)-1-oxo-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)propan-2-yl acetate
Compound characteristics
| Compound ID: | V014-0079 |
| Compound Name: | (2S)-1-oxo-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)propan-2-yl acetate |
| Molecular Weight: | 462.43 |
| Molecular Formula: | C21 H21 F3 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(=O)O[C@@H](C)C(N1CCN(CC1)c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5625 |
| logD: | 2.5599 |
| logSw: | -2.6727 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.841 |
| InChI Key: | KYCVUGHWVFQAOJ-ZDUSSCGKSA-N |