ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dichlorophenyl)-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-dichlorophenyl)-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-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3768 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 579.91 |
| Molecular Formula: | C27 H29 Cl3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2[Cl])[Cl])NC(N(C)C=1CN1CCCN(CC1)C(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4336 |
| logD: | 3.0472 |
| logSw: | -4.4579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.31 |
| InChI Key: | BDUIKXRRUUOSLZ-DEOSSOPVSA-N |