2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluoro-3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluoro-3-nitrophenyl)acetamide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluoro-3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8008-1605 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluoro-3-nitrophenyl)acetamide |
| Molecular Weight: | 509.51 |
| Molecular Formula: | C24 H20 F N5 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(Nc1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.248 |
| logD: | 4.2126 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.203 |
| InChI Key: | LDVAPDRXUQKTLE-UHFFFAOYSA-N |