N-[(4-acetamidophenyl)methyl]-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
N-[(4-acetamidophenyl)methyl]-2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[(4-acetamidophenyl)methyl]-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: | 8018-3900 |
| Compound Name: | N-[(4-acetamidophenyl)methyl]-2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | CC(Nc1ccc(CNC(CSc2nnc(COc3ccc4c(c3)OCO4)n2C)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2514 |
| logD: | 1.2514 |
| logSw: | -2.315 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.375 |
| InChI Key: | XMKFYNSQVBRJPT-UHFFFAOYSA-N |