methyl 2-(2-chloroanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-chloroanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(2-chloroanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9309 |
| Compound Name: | methyl 2-(2-chloroanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C20 H16 Cl N O5 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccccc2[Cl])SC(=C\c2ccc(cc2OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3721 |
| logD: | 3.8849 |
| logSw: | -4.1644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.087 |
| InChI Key: | RQKRTOAGBFXYTO-UHFFFAOYSA-N |