ethyl 1-methyl-6-{[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-6842 |
| Compound Name: | ethyl 1-methyl-6-{[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C26 H38 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C)NC(N(C)C=1CN1CCCN(CC1)C(CC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9867 |
| logD: | 0.7959 |
| logSw: | -3.0503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.054 |
| InChI Key: | JYIKEXCUYSKJSZ-XMMPIXPASA-N |