ethyl 4-(4-chlorophenyl)-2-oxo-6-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-2-oxo-6-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-2-oxo-6-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C430-5335 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-2-oxo-6-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C22 H25 Cl N6 O3 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(NC=1CN1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5226 |
| logD: | 2.5226 |
| logSw: | -3.4671 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.407 |
| InChI Key: | LJAXNDZNVDRWGI-IBGZPJMESA-N |