ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-2278 |
| Compound Name: | ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C27 H38 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cc(cc(c2)OC)OC)NC(N(C)C=1CN1CCCN(CC1)C(C1CCC1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8545 |
| logD: | -0.4212 |
| logSw: | -2.3776 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.921 |
| InChI Key: | XSQZXTPQRBEEAG-XMMPIXPASA-N |