ethyl {[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-2008 |
| Compound Name: | ethyl {[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCOC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3477 |
| logD: | 4.3477 |
| logSw: | -4.2243 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.524 |
| InChI Key: | ZDOBQCTVWCHDDK-UHFFFAOYSA-N |