ethyl 5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4767-1286 |
| Compound Name: | ethyl 5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C30 H26 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2cn(Cc3ccccc3)c3ccccc23)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0937 |
| logD: | 7.0785 |
| logSw: | -5.7707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.849 |
| InChI Key: | NQCVWJDQDWUQRV-UHFFFAOYSA-N |