ethyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V012-6837 |
| Compound Name: | ethyl {[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8028 |
| logD: | 3.8028 |
| logSw: | -3.9513 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.524 |
| InChI Key: | SZBOPUWTNZFFGG-UHFFFAOYSA-N |