ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-2302 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 571.07 |
| Molecular Formula: | C29 H35 Cl N4 O6 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2OC)OC)NC(N(C)C=1CN1CCCN(CC1)C(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0561 |
| logD: | 1.6697 |
| logSw: | -3.6791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.657 |
| InChI Key: | NUTFWHKXEVNUSJ-RUZDIDTESA-N |