(4-methylpiperazin-1-yl){2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
(4-methylpiperazin-1-yl){2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(4-methylpiperazin-1-yl){2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V030-6248 |
| Compound Name: | (4-methylpiperazin-1-yl){2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 538.59 |
| Molecular Formula: | C27 H25 F3 N6 O S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccnc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8228 |
| logD: | 3.6921 |
| logSw: | -3.8228 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.355 |
| InChI Key: | KZPQQQPFEMEIKL-UHFFFAOYSA-N |