ethyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8009-0345 |
| Compound Name: | ethyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 587.45 |
| Molecular Formula: | C26 H23 Br N2 O7 S |
| Smiles: | CCOC(C1C(c2cc(ccc2OC)OC)N2C(=NC=1C)SC(=C\c1cc3c(cc1[Br])OCO3)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1013 |
| logD: | 5.1013 |
| logSw: | -4.9808 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.037 |
| InChI Key: | PEVJWKTWZQSNNO-QHCPKHFHSA-N |