2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | L868-1149 |
| Compound Name: | 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | Cc1cc(nc(n1)N1CCCCCC1)OCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7733 |
| logD: | 3.7721 |
| logSw: | -3.7555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.041 |
| InChI Key: | WARVVXOWYUNJDJ-UHFFFAOYSA-N |