(2H-1,3-benzodioxol-5-yl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4099-6506 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C20 H17 Cl N2 O5 |
| Smiles: | CC1=C(C(c2ccccc2[Cl])NC(N1)=O)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.216 |
| logD: | 3.1527 |
| logSw: | -3.3616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.665 |
| InChI Key: | NYBLZVYGXMXTMX-SFHVURJKSA-N |