ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamido}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamido}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamido}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-2455 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamido}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 617.66 |
| Molecular Formula: | C33 H35 N3 O9 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN(CCc1ccc(c(c1)OC)OC)C(c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5085 |
| logD: | 3.2929 |
| logSw: | -3.6778 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.89 |
| InChI Key: | UGPWGEVHNWTKFU-SSEXGKCCSA-N |