ethyl 5-[4-(acetyloxy)phenyl]-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-[4-(acetyloxy)phenyl]-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-[4-(acetyloxy)phenyl]-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1611-4792 |
| Compound Name: | ethyl 5-[4-(acetyloxy)phenyl]-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 506.53 |
| Molecular Formula: | C26 H22 N2 O7 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1ccc3c(c1)OCO3)S2)=O)C(=O)OCC)c1ccc(cc1)OC(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8582 |
| logD: | 3.8582 |
| logSw: | -4.0013 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.614 |
| InChI Key: | RMKJDJWZVLSFOB-HSZRJFAPSA-N |