ethyl 6-[(azepan-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(azepan-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(azepan-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C430-5324 |
| Compound Name: | ethyl 6-[(azepan-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 391.9 |
| Molecular Formula: | C20 H26 Cl N3 O3 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(NC=1CN1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2303 |
| logD: | 3.2303 |
| logSw: | -3.9614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.116 |
| InChI Key: | HAGRHDHXBGGFJA-SFHVURJKSA-N |