ethyl 2-(2,4-dichloroanilino)-5-[(1H-indol-3-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,4-dichloroanilino)-5-[(1H-indol-3-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2,4-dichloroanilino)-5-[(1H-indol-3-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5492-4051 |
| Compound Name: | ethyl 2-(2,4-dichloroanilino)-5-[(1H-indol-3-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 459.35 |
| Molecular Formula: | C22 H16 Cl2 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2[Cl])[Cl])SC(=C/c2c[nH]c3ccccc23)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4307 |
| logD: | 4.3144 |
| logSw: | -6.2278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.29 |
| InChI Key: | KBQPYINCQOZLAG-UHFFFAOYSA-N |