methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-1077 |
| Compound Name: | methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Smiles: | COC(C1=C(Nc2ccccc2OC)SC(=C\c2cc(cc(c2)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3864 |
| logD: | 4.1425 |
| logSw: | -4.4247 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.557 |
| InChI Key: | LWCZZPQIHFLAIT-UHFFFAOYSA-N |