methyl 6-[(azepan-1-yl)methyl]-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(azepan-1-yl)methyl]-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(azepan-1-yl)methyl]-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4618 |
| Compound Name: | methyl 6-[(azepan-1-yl)methyl]-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | Cc1ccc(C2C(=C(CN3CCCCCC3)NC(N2)=O)C(=O)OC)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3728 |
| logD: | 3.3728 |
| logSw: | -3.4641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.536 |
| InChI Key: | NMGCVODKOQPPQF-LJQANCHMSA-N |