methyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-7247 |
| Compound Name: | methyl 2-(3-methylanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Smiles: | Cc1cccc(c1)NC1=C(C(/C(=C\c2ccc(c(c2OC)OC)OC)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7401 |
| logD: | 4.7325 |
| logSw: | -4.6449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.602 |
| InChI Key: | UGAJUHSAXDFVMU-UHFFFAOYSA-N |