ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C561-2878 |
| Compound Name: | ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C28 H34 N4 O7 |
| Smiles: | CCOC(C1C(c2cccc(c2OC)OC)NC(NC=1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2807 |
| logD: | 2.2807 |
| logSw: | -3.1338 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.788 |
| InChI Key: | SJZLGFPAKQXHSI-RUZDIDTESA-N |