methyl 2-(3-chloroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-chloroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-chloroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-0218 |
| Compound Name: | methyl 2-(3-chloroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C20 H16 Cl N O5 S |
| Smiles: | COC(C1=C(Nc2cccc(c2)[Cl])SC(=C\c2cc(ccc2O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0276 |
| logD: | 4.5445 |
| logSw: | -4.6734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.629 |
| InChI Key: | HDWCTOIABRKLQP-CXUHLZMHSA-N |