ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2032-0041 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-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(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OC)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9912 |
| logD: | 4.9912 |
| logSw: | -4.763 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.21 |
| InChI Key: | JBGLMRSBKUBVLW-QFIPXVFZSA-N |