ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C430-5424 |
| Compound Name: | ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C23 H33 N3 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC(C)C)NC(NC=1CN1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3021 |
| logD: | 3.3021 |
| logSw: | -3.505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.918 |
| InChI Key: | CTEHOTDYYWVWMF-OAQYLSRUSA-N |