2-{[5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-4024 |
| Compound Name: | 2-{[5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1)n1c(COc2ccc3c(c2)OCO3)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7628 |
| logD: | 1.7628 |
| logSw: | -2.5594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.507 |
| InChI Key: | BKOWQGNOKYQJJH-UHFFFAOYSA-N |