ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-0905 |
| Compound Name: | ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 525.05 |
| Molecular Formula: | C28 H33 Cl N4 O4 |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9897 |
| logD: | 3.4755 |
| logSw: | -4.3304 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.197 |
| InChI Key: | WVOAJDYHVJDEDY-UHFFFAOYSA-N |