methyl 5-[(4-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(4-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-5832 |
| Compound Name: | methyl 5-[(4-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H17 N O5 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccccc2OC)SC(=C\c2ccc(cc2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8029 |
| logD: | 3.559 |
| logSw: | -4.1629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.087 |
| InChI Key: | ABJAPHFYJSWEQR-UHFFFAOYSA-N |