4-({[4-(2-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-({[4-(2-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
4-({[4-(2-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V004-8666 |
| Compound Name: | 4-({[4-(2-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 540.61 |
| Molecular Formula: | C28 H27 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccccc1OC)SCc1ccc(cc1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3449 |
| logD: | 5.3425 |
| logSw: | -5.4202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.727 |
| InChI Key: | FJOVLXDVYSUFPT-UHFFFAOYSA-N |