ethyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8538 |
| Compound Name: | ethyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H25 N O6 S |
| Smiles: | CCOC(C1=C(Nc2cccc(C)c2)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3124 |
| logD: | 5.3047 |
| logSw: | -5.3172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.182 |
| InChI Key: | PRZUQOIIQQKMTJ-UHFFFAOYSA-N |