2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 3613-0036 |
| Compound Name: | 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C17 H16 N6 O3 S |
| Smiles: | Cn1c(c2ccc(cc2)N)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1896 |
| logD: | 2.1889 |
| logSw: | -2.886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.388 |
| InChI Key: | BUIZYWUZRRANGU-UHFFFAOYSA-N |