ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[(4-chlorophenyl)acetyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[(4-chlorophenyl)acetyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[(4-chlorophenyl)acetyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-2124 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[(4-chlorophenyl)acetyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 636.1 |
| Molecular Formula: | C33 H34 Cl N3 O8 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN(CCc1ccc(c(c1)OC)OC)C(Cc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4884 |
| logD: | 4.1678 |
| logSw: | -4.8753 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.819 |
| InChI Key: | VRINJLDPUGVYLS-WJOKGBTCSA-N |