methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-4147 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C22 H19 N O7 S |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8418 |
| logD: | 3.6539 |
| logSw: | -4.03 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.914 |
| InChI Key: | XCXXIDGLFQROQA-GIJQJNRQSA-N |