(4-ethylpiperazin-1-yl){4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl){4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(4-ethylpiperazin-1-yl){4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V027-3256 |
| Compound Name: | (4-ethylpiperazin-1-yl){4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 552.62 |
| Molecular Formula: | C28 H27 F3 N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7638 |
| logD: | 3.5876 |
| logSw: | -3.8053 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.326 |
| InChI Key: | JBQBZYNRRNTRIN-UHFFFAOYSA-N |