2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G731-0134 |
| Compound Name: | 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4,5-triethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | CCOc1cc(CNC(CSc2nnc(c3ccccc3)[nH]2)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1774 |
| logD: | 1.9857 |
| logSw: | -3.2883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.663 |
| InChI Key: | YRUZERLXBADZMM-UHFFFAOYSA-N |