methyl 5-[(2,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-0162 |
| Compound Name: | methyl 5-[(2,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | Cc1cccc(c1)NC1=C(C(/C(=C\c2cc(ccc2OC)OC)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0074 |
| logD: | 4.9997 |
| logSw: | -4.7623 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.711 |
| InChI Key: | XUNJPHRLDXVBQE-UHFFFAOYSA-N |