ethyl {[5-(3-methyl-2-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(3-methyl-2-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(3-methyl-2-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2219-0187 |
| Compound Name: | ethyl {[5-(3-methyl-2-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCOC(CSc1nnc(c2cccc(C)c2[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9924 |
| logD: | 3.9923 |
| logSw: | -4.3261 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.922 |
| InChI Key: | XPFSIYAWLBMYBW-UHFFFAOYSA-N |