ethyl 2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4059-0274 |
| Compound Name: | ethyl 2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 587.49 |
| Molecular Formula: | C27 H27 Br N2 O6 S |
| Smiles: | CCOC(C1C(c2ccccc2OC(C)C)N2C(=NC=1C)SC(=C/c1cc(c(cc1[Br])O)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.136 |
| logD: | 5.1075 |
| logSw: | -4.7739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.815 |
| InChI Key: | KIRBDWHXAOZULK-DEOSSOPVSA-N |