ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5547 |
| Compound Name: | ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C28 H34 N4 O5 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(N(C)C=1CN1CCCN(CC1)C(c1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3734 |
| logD: | 0.987 |
| logSw: | -2.7145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.854 |
| InChI Key: | GNUXAXMWKROYQN-RUZDIDTESA-N |