ethyl 2-(3-chloroanilino)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloroanilino)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloroanilino)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V014-2094 |
| Compound Name: | ethyl 2-(3-chloroanilino)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C20 H16 Cl N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)[Cl])SC(=C\c2ccc(c(c2)O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6255 |
| logD: | 4.1425 |
| logSw: | -4.5551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.213 |
| InChI Key: | XCRBMVMLCVUYGT-UHFFFAOYSA-N |