3-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-9321 |
| Compound Name: | 3-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 439.52 |
| Molecular Formula: | C20 H20 F3 N3 O S2 |
| Smiles: | Cc1cc(cs1)c1nnc(n1CC1CCCO1)SCc1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.98 |
| logD: | 4.98 |
| logSw: | -4.8005 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.642 |
| InChI Key: | LVRCICKJUBAQHF-QGZVFWFLSA-N |