2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C592-4028 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 322.34 |
| Molecular Formula: | C13 H14 N4 O4 S |
| Smiles: | Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2078 |
| logD: | 0.2078 |
| logSw: | -2.0416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.301 |
| InChI Key: | ZQKQDVJADSKNKV-UHFFFAOYSA-N |