(2H-1,3-benzodioxol-5-yl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 3404-5423 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 491.29 |
| Molecular Formula: | C21 H19 Br N2 O7 |
| Smiles: | CC1=C(C(c2cc(c(c(c2)[Br])O)OC)NC(N1)=O)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5801 |
| logD: | 2.4908 |
| logSw: | -2.8897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.774 |
| InChI Key: | WRCLWIQDWXBMFL-SFHVURJKSA-N |