2-({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide
2-({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8016-5785 |
| Compound Name: | 2-({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCC(Nc1ccccc1[N+]([O-])=O)=O)c1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.0855 |
| logD: | 4.0756 |
| logSw: | -3.8813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.769 |
| InChI Key: | UZVZUPJFHPEEOA-UHFFFAOYSA-N |