(4-pentylphenyl)(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(4-pentylphenyl)(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)methanone
(4-pentylphenyl)(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V006-0093 |
| Compound Name: | (4-pentylphenyl)(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 522.57 |
| Molecular Formula: | C28 H29 F3 N6 O |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(N1CCN(CC1)c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3076 |
| logD: | 6.3075 |
| logSw: | -5.4496 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.049 |
| InChI Key: | REINXUXMPSVZMB-UHFFFAOYSA-N |