ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-nitrophenyl)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-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C561-2869 |
| Compound Name: | ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 525.56 |
| Molecular Formula: | C26 H31 N5 O7 |
| Smiles: | CCOC(C1C(c2cccc(c2OC)OC)NC(NC=1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7757 |
| logD: | 2.7757 |
| logSw: | -3.1602 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.774 |
| InChI Key: | YPLUHMQDOQTRLC-HSZRJFAPSA-N |