2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-3137 |
| Compound Name: | 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide |
| Molecular Weight: | 483.33 |
| Molecular Formula: | C18 H16 Cl2 N6 O4 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(CSc1nnc(c2ccc(cc2[Cl])[Cl])n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0383 |
| logD: | 4.013 |
| logSw: | -4.5451 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.795 |
| InChI Key: | LJXOJMFJINUFOG-UHFFFAOYSA-N |