methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0634 |
| Compound Name: | methyl 5-[(3,5-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(cc(c2)OC)OC)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7338 |
| logD: | 4.7262 |
| logSw: | -4.6123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.625 |
| InChI Key: | MCJIBVMTLMYMLE-UHFFFAOYSA-N |