ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-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-ethoxy-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4137-1117 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 584.65 |
| Molecular Formula: | C32 H28 N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1c1ccccc1)SC(=C/c1ccc(c(c1)OCC)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8348 |
| logD: | 5.8347 |
| logSw: | -5.5483 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.933 |
| InChI Key: | IYRRIAOLQSTMLX-GDLZYMKVSA-N |