ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-ethyl-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-ethyl-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-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-9379 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 593.94 |
| Molecular Formula: | C28 H31 Cl3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(c2ccc(cc2)[Cl])=O)=C(C(c2cccc(c2[Cl])[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0101 |
| logD: | 3.745 |
| logSw: | -5.174 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.269 |
| InChI Key: | YGVPIAOUTBIEHF-VWLOTQADSA-N |