ethyl 6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7955 |
| Compound Name: | ethyl 6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CN1CCN(CCC#N)CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6489 |
| logD: | 1.6489 |
| logSw: | -2.3455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.067 |
| InChI Key: | NQLHADYDEXJROR-OAQYLSRUSA-N |