methyl 2-(3-chloroanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-chloroanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-chloroanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-0718 |
| Compound Name: | methyl 2-(3-chloroanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C20 H16 Cl N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(\C=C2/C(C(=C(Nc3cccc(c3)[Cl])S2)C(=O)OC)=O)c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 5.4432 |
| logD: | 4.9601 |
| logSw: | -5.5103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.085 |
| InChI Key: | GCRMJJXALPQMHO-UHFFFAOYSA-N |