ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C561-2529 |
| Compound Name: | ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CCOC(C1C(c2ccccc2)NC(NC=1CN1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6399 |
| logD: | 2.6399 |
| logSw: | -2.9117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.116 |
| InChI Key: | YDRQQITZXUXHNR-GOSISDBHSA-N |