ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)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-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-1163 |
| Compound Name: | ethyl 4-(3-chlorophenyl)-1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 526.04 |
| Molecular Formula: | C27 H32 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(C)C=1CN1CCN(C(C)C1)C(Nc1ccccc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5381 |
| logD: | 1.7688 |
| logSw: | -3.8129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.018 |
| InChI Key: | JRLHKUPKNTUZQB-UHFFFAOYSA-N |