(4-ethylpiperazin-1-yl){2-[({5-(4-methylphenyl)-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-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(4-ethylpiperazin-1-yl){2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V029-3836 |
| Compound Name: | (4-ethylpiperazin-1-yl){2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 565.66 |
| Molecular Formula: | C30 H30 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2ccc(C)cc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0715 |
| logD: | 5.8953 |
| logSw: | -5.5324 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.897 |
| InChI Key: | GFRMLLQYAHHMFA-UHFFFAOYSA-N |