methyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1985 |
| Compound Name: | methyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | COC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2117 |
| logD: | 3.2117 |
| logSw: | -3.5561 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.945 |
| InChI Key: | LETWHUZZYOXTGB-UHFFFAOYSA-N |