ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3448-4061 |
| Compound Name: | ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 575.43 |
| Molecular Formula: | C25 H23 Br N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)O)N=C2N(C=1C)C(/C(=C\c1cc(c(c(c1)[Br])O)OC)S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7619 |
| logD: | 3.6841 |
| logSw: | -3.5549 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.016 |
| InChI Key: | AGLKALMWFDJORG-OAQYLSRUSA-N |