methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-2990 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.85 |
| Molecular Formula: | C20 H14 Cl N O5 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9016 |
| logD: | 4.4719 |
| logSw: | -5.0801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.653 |
| InChI Key: | JMRZLHSKNDKHLY-UHFFFAOYSA-N |