3-methyl-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)but-2-en-1-one
Chemical Structure Depiction of
3-methyl-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)but-2-en-1-one
3-methyl-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)but-2-en-1-one
Compound characteristics
| Compound ID: | V029-8361 |
| Compound Name: | 3-methyl-1-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)but-2-en-1-one |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C21 H21 F3 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)=CC(N1CCN(CC1)c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6519 |
| logD: | 3.6511 |
| logSw: | -3.9022 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.793 |
| InChI Key: | DHNQYFCOIORFFB-UHFFFAOYSA-N |