methyl 6-[(azepan-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(azepan-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(azepan-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4484 |
| Compound Name: | methyl 6-[(azepan-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C21 H29 N3 O5 |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)OC)NC(NC=1CN1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9563 |
| logD: | 1.9563 |
| logSw: | -2.7904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.797 |
| InChI Key: | BVDXLXKEEVSGNH-LJQANCHMSA-N |