ethyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate
ethyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate
Compound characteristics
| Compound ID: | L868-1110 |
| Compound Name: | ethyl 4-(2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}acetamido)benzoate |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(COc1cc(C)nc(n1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9381 |
| logD: | 4.9369 |
| logSw: | -4.6109 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.358 |
| InChI Key: | BIUIATWBLNCZCB-UHFFFAOYSA-N |