ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-3082 |
| Compound Name: | ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 537.49 |
| Molecular Formula: | C26 H34 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(C2CCC2)=O)=C(C(c2ccc(c(c2)[Cl])[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9537 |
| logD: | 1.8046 |
| logSw: | -4.3962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.792 |
| InChI Key: | ORBQYBHGNJPSAT-QHCPKHFHSA-N |