ethyl 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E733-0021 |
| Compound Name: | ethyl 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C26 H31 F N4 O3 |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)NC(NC=1CN1CCN(CC1)c1cc(C)ccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9502 |
| logD: | 3.9502 |
| logSw: | -3.8491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.744 |
| InChI Key: | WHKCBJBVQJWNNE-DEOSSOPVSA-N |