N-(2,5-dimethoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,5-dimethoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-1677 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 434.43 |
| Molecular Formula: | C16 H18 N8 O5 S |
| Smiles: | Cn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(Nc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3654 |
| logD: | 0.3646 |
| logSw: | -2.578 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.32 |
| InChI Key: | NENZIAUPGVSVSC-UHFFFAOYSA-N |