4-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
4-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V015-4798 |
| Compound Name: | 4-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 554.63 |
| Molecular Formula: | C29 H29 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(c2ccc(C)cc2)nnc1SCc1ccc(cc1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6414 |
| logD: | 5.6414 |
| logSw: | -5.5153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.738 |
| InChI Key: | WGECPQSSMPZRLZ-FQEVSTJZSA-N |