ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V009-4636 |
| Compound Name: | ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)OC)SC(=C\c2cc(C)ccc2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2636 |
| logD: | 5.1643 |
| logSw: | -4.8099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.209 |
| InChI Key: | BAFZWBCJBAYXLD-UHFFFAOYSA-N |