ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2031-0036 |
| Compound Name: | ethyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 563.85 |
| Molecular Formula: | C24 H20 Br Cl N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])O)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0375 |
| logD: | 4.9598 |
| logSw: | -5.0754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.857 |
| InChI Key: | BDYVYHJHAHLIOO-FQEVSTJZSA-N |