3-(furan-2-yl)-4-(3-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(furan-2-yl)-4-(3-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(furan-2-yl)-4-(3-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-8661 |
| Compound Name: | 3-(furan-2-yl)-4-(3-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C21 H16 F3 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccco2)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5636 |
| logD: | 5.5635 |
| logSw: | -5.6552 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | PWQWMZUGKMSFRT-UHFFFAOYSA-N |