diethyl 5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Chemical Structure Depiction of
diethyl 5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
diethyl 5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Compound characteristics
| Compound ID: | 8010-2898 |
| Compound Name: | diethyl 5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate |
| Molecular Weight: | 564.57 |
| Molecular Formula: | C28 H24 N2 O9 S |
| Smiles: | CCOC(C1C(C(=C2N(C=1N)C(/C(=C\c1ccc3c(c1)OCO3)S2)=O)C(=O)OCC)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2406 |
| logD: | 4.2406 |
| logSw: | -4.4252 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.028 |
| InChI Key: | NPCIKBAIXSRSGB-NRFANRHFSA-N |