methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-2989 |
| Compound Name: | methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C23 H21 N O7 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc3c(c2)OCCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9813 |
| logD: | 2.7933 |
| logSw: | -3.4451 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.621 |
| InChI Key: | LVBHECRSYCNGPD-UHFFFAOYSA-N |