N-(2-methylphenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2-methylphenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2-methylphenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-1898 |
| Compound Name: | N-(2-methylphenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C20 H18 N8 O3 S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(Cn2cnc(n2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8154 |
| logD: | 1.8153 |
| logSw: | -2.5412 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.808 |
| InChI Key: | YRMIQMRVYBYVFB-UHFFFAOYSA-N |