methyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate
methyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate
Compound characteristics
| Compound ID: | L868-1109 |
| Compound Name: | methyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | Cc1cc(nc(n1)N1CCCCCC1)OCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4275 |
| logD: | 4.4262 |
| logSw: | -4.2446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.778 |
| InChI Key: | YMSSFTYUFDCPBT-UHFFFAOYSA-N |