ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V003-0531 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C26 H39 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(C)c2)NC(N(C)C=1CN1CCCN(CC1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1594 |
| logD: | -0.6781 |
| logSw: | -3.1052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.548 |
| InChI Key: | JRKHREPVVILVQT-JOCHJYFZSA-N |