ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(2-chloro-4-fluorophenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(2-chloro-4-fluorophenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(2-chloro-4-fluorophenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-0106 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(2-chloro-4-fluorophenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 448.83 |
| Molecular Formula: | C21 H18 Cl F N2 O6 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1COc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6571 |
| logD: | 3.3936 |
| logSw: | -4.0325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.482 |
| InChI Key: | LDIJWZANPYCUBL-LJQANCHMSA-N |