(4-methylpiperazin-1-yl){3-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
(4-methylpiperazin-1-yl){3-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(4-methylpiperazin-1-yl){3-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V026-3738 |
| Compound Name: | (4-methylpiperazin-1-yl){3-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 543.63 |
| Molecular Formula: | C26 H24 F3 N5 O S2 |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1cccc(CSc2nnc(c3cccs3)n2c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5963 |
| logD: | 4.4656 |
| logSw: | -4.4518 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.856 |
| InChI Key: | HDKYMOPGDWHPSZ-UHFFFAOYSA-N |