benzyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0383 |
| Compound Name: | benzyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C20 H17 Br N2 O5 |
| Smiles: | CC1=C(C(c2cc3c(cc2[Br])OCO3)NC(N1)=O)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0994 |
| logD: | 3.0361 |
| logSw: | -3.3309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.665 |
| InChI Key: | ZVGURVBYAIYJJW-SFHVURJKSA-N |