3-benzyl-4-(2-methoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-(2-methoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-benzyl-4-(2-methoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
Compound ID: | V004-3431 |
Compound Name: | 3-benzyl-4-(2-methoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
Molecular Weight: | 455.5 |
Molecular Formula: | C24 H20 F3 N3 O S |
Salt: | not_available |
Smiles: | COc1ccccc1n1c(Cc2ccccc2)nnc1SCc1ccccc1C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 5.7176 |
logD: | 5.7174 |
logSw: | -5.6221 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.018 |
InChI Key: | JQHRAQSDQDILHT-UHFFFAOYSA-N |