ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-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-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1641 |
| Compound Name: | ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-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=1CN1CCN(C(C)C1)C(c1ccccc1[Cl])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.535 |
| logD: | 4.0209 |
| logSw: | -4.5818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.197 |
| InChI Key: | KSQNJJHRMJAEOZ-UHFFFAOYSA-N |