2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)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]-N-(4-methylphenyl)acetamide
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8018-3879 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(COc2ccc3c(c2)OCO3)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7922 |
| logD: | 2.7922 |
| logSw: | -3.3069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.791 |
| InChI Key: | QJSZMCPHJLRVFK-UHFFFAOYSA-N |