4-({[5-(2-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
4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
4-({[5-(2-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: | V024-8143 |
| Compound Name: | 4-({[5-(2-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(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.039 |
| logD: | 5.0389 |
| logSw: | -5.0002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.713 |
| InChI Key: | GIWOAMAARXWCHD-UHFFFAOYSA-N |