ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C561-2876 |
| Compound Name: | ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C26 H31 F N4 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2OC)OC)NC(NC=1CN1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8791 |
| logD: | 2.8791 |
| logSw: | -3.2767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.393 |
| InChI Key: | ODTGVWCUYVWDGB-HSZRJFAPSA-N |