2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V028-1529 |
| Compound Name: | 2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 571.58 |
| Molecular Formula: | C27 H24 F3 N5 O4 S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7551 |
| logD: | 5.7549 |
| logSw: | -5.6308 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.356 |
| InChI Key: | ATJDKOKYLVQYGC-UHFFFAOYSA-N |