ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2389 |
| Compound Name: | ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 604.43 |
| Molecular Formula: | C25 H22 Br N3 O8 S |
| Smiles: | CCOC(C1C(c2cc(c(cc2[Br])OC)OC)N2C(=NC=1C)SC(=C\c1cc(ccc1O)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3759 |
| logD: | 2.7109 |
| logSw: | -4.1042 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.938 |
| InChI Key: | VFSFZUMFCVGAAB-QFIPXVFZSA-N |