ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-1822 |
| Compound Name: | ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C23 H21 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C\c2ccc3c(c2)OCCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.001 |
| logD: | 3.977 |
| logSw: | -4.1848 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.484 |
| InChI Key: | WTPSXIZVUUUTEV-UHFFFAOYSA-N |