ethyl 2-anilino-5-[(3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9579 |
| Compound Name: | ethyl 2-anilino-5-[(3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C\c2cc(cc(c2)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7544 |
| logD: | 4.7429 |
| logSw: | -4.4755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.205 |
| InChI Key: | NCHMXGHDBJLVRL-UHFFFAOYSA-N |