2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6428 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | CCn1c(c2ccc(c(c2)OC)OC)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5196 |
| logD: | 3.5189 |
| logSw: | -3.7887 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.757 |
| InChI Key: | UUVQMJVICONZTR-UHFFFAOYSA-N |