ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7953 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C21 H26 Cl N5 O3 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(NC=1CN1CCN(CCC#N)CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1977 |
| logD: | 1.1977 |
| logSw: | -2.9335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.067 |
| InChI Key: | IRVQBFFDIRCLON-IBGZPJMESA-N |