ethyl 6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-9066 |
| Compound Name: | ethyl 6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 511.02 |
| Molecular Formula: | C27 H31 Cl N4 O4 |
| Smiles: | CCOC(C1C(c2cccc(C)c2)NC(N(C)C=1CN1CCN(CC1)C(c1ccccc1[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2727 |
| logD: | 2.7412 |
| logSw: | -3.6491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.979 |
| InChI Key: | IJPMFNPEARVCLF-DEOSSOPVSA-N |