methyl 2-(4-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0021 |
| Compound Name: | methyl 2-(4-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C19 H14 Cl N O4 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2cccc(c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5038 |
| logD: | 4.074 |
| logSw: | -4.4497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.154 |
| InChI Key: | WVZOCJUQJSQQSV-UHFFFAOYSA-N |