2-({[4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
Compound ID: | V003-3268 |
Compound Name: | 2-({[4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
Molecular Weight: | 500.52 |
Molecular Formula: | C25 H20 F4 N4 O S |
Salt: | not_available |
Smiles: | Cc1nnc(n1c1ccccc1F)SCc1ccccc1C(NCc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 5.0189 |
logD: | 5.0187 |
logSw: | -4.7066 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.874 |
InChI Key: | IWISURQKQJPZBE-UHFFFAOYSA-N |