ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8009-2357 |
| Compound Name: | ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 584.3 |
| Molecular Formula: | C21 H16 Br2 N2 O4 S2 |
| Smiles: | CCOC(C1C(c2cccs2)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])O)[Br])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8108 |
| logD: | 4.3907 |
| logSw: | -4.3775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.245 |
| InChI Key: | PGQCIGAQWNRWBJ-KRWDZBQOSA-N |