ethyl 4-(4-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5610 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 529.01 |
| Molecular Formula: | C27 H30 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(N(C)C=1CN1CCN(C(C)C1)C(c1cccc(c1)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4981 |
| logD: | 2.9839 |
| logSw: | -4.2253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.197 |
| InChI Key: | DUYMOLYRMFIBEV-UHFFFAOYSA-N |