3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-1989 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C23 H18 F3 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(c3ccccc3)n2c2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8153 |
| logD: | 5.8152 |
| logSw: | -5.8003 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | CZOOKEZFJZRIEB-UHFFFAOYSA-N |