2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
Chemical Structure Depiction of
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
Compound characteristics
| Compound ID: | 8017-8526 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C26 H24 N4 O5 S |
| Smiles: | C(COc1ccccc1)NC(CSc1nnc(COc2ccc3c(c2)OCO3)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7062 |
| logD: | 3.7062 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.034 |
| InChI Key: | WWXSIAMXSNVUFR-UHFFFAOYSA-N |