ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-0917 |
| Compound Name: | ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C23 H21 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C\c2ccc3c(c2)OCCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4421 |
| logD: | 4.4268 |
| logSw: | -4.281 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.94 |
| InChI Key: | JNTBODMATHQFFJ-UHFFFAOYSA-N |