2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V029-9952 |
| Compound Name: | 2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 553.56 |
| Molecular Formula: | C27 H22 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3936 |
| logD: | 6.3935 |
| logSw: | -6.3441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.014 |
| InChI Key: | GWSHTAZLPMYZMN-UHFFFAOYSA-N |