methyl 2-anilino-5-[(3,5-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(3,5-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(3,5-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9220 |
| Compound Name: | methyl 2-anilino-5-[(3,5-dihydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 369.39 |
| Molecular Formula: | C19 H15 N O5 S |
| Smiles: | COC(C1=C(Nc2ccccc2)SC(=C\c2cc(cc(c2)O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1791 |
| logD: | 3.1675 |
| logSw: | -3.5018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.771 |
| InChI Key: | TWWLGADTCXAKBX-OQLLNIDSSA-N |