N-(4-ethoxyphenyl)-2-({4-ethyl-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-(4-ethoxyphenyl)-2-({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-ethoxyphenyl)-2-({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-1680 |
| Compound Name: | N-(4-ethoxyphenyl)-2-({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C17 H20 N8 O4 S |
| Smiles: | CCn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(Nc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6655 |
| logD: | 1.6644 |
| logSw: | -2.5772 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.882 |
| InChI Key: | KRTWKXRUUDCYPZ-UHFFFAOYSA-N |