N-(4-ethoxyphenyl)-2-({4-(4-nitrophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-({4-(4-nitrophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-ethoxyphenyl)-2-({4-(4-nitrophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K400-07999 |
| Compound Name: | N-(4-ethoxyphenyl)-2-({4-(4-nitrophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 562.6 |
| Molecular Formula: | C27 H26 N6 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(CNC(COc2ccccc2)=O)n1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7517 |
| logD: | 3.7517 |
| logSw: | -3.8792 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.314 |
| InChI Key: | BCKXMRIGSRKMAJ-UHFFFAOYSA-N |