3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
Compound ID: | V010-1983 |
Compound Name: | 3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
Molecular Weight: | 471.5 |
Molecular Formula: | C24 H20 F3 N3 O2 S |
Salt: | not_available |
Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCc1cccc(c1)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 5.9919 |
logD: | 5.9919 |
logSw: | -5.818 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.8 |
InChI Key: | DYJQSDAWHCMXKG-UHFFFAOYSA-N |