ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3971-0054 |
| Compound Name: | ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 548.61 |
| Molecular Formula: | C29 H28 N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OCC)OCC=C)N2C(=NC=1C)SC(=C\c1ccc3c(c1)OCO3)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9713 |
| logD: | 4.9713 |
| logSw: | -4.7565 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.577 |
| InChI Key: | CXHPHTJLKRLYPQ-AREMUKBSSA-N |