methyl 5-[(4-hydroxy-3-methylphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-hydroxy-3-methylphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(4-hydroxy-3-methylphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-1057 |
| Compound Name: | methyl 5-[(4-hydroxy-3-methylphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(\C=C2/C(C(=C(Nc3ccccc3OC)S2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.1508 |
| logD: | 3.9069 |
| logSw: | -4.0516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.018 |
| InChI Key: | UNBFFDAXPHVLNS-UHFFFAOYSA-N |