(4-ethylpiperazin-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-ethylpiperazin-1-yl){2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(4-ethylpiperazin-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: | V029-3776 |
| Compound Name: | (4-ethylpiperazin-1-yl){2-[({5-(pyridin-3-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(c1ccccc1CSc1nnc(c2cccnc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1675 |
| logD: | 3.9913 |
| logSw: | -4.0141 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.415 |
| InChI Key: | KKPFPEGYJHYIQC-UHFFFAOYSA-N |