2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]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-[4-(propan-2-yl)phenyl]acetamide
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8018-3878 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc(COc2ccc3c(c2)OCO3)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1581 |
| logD: | 5.1581 |
| logSw: | -5.0178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.453 |
| InChI Key: | KEAJKUYPEIVXER-UHFFFAOYSA-N |