4-[(3,4-dimethoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Chemical Structure Depiction of
4-[(3,4-dimethoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
4-[(3,4-dimethoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Compound characteristics
| Compound ID: | 5122-2935 |
| Compound Name: | 4-[(3,4-dimethoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C25 H22 N2 O5 |
| Smiles: | COc1ccc(cc1)N1C(C(=C/Nc2ccc(c(c2)OC)OC)/c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9586 |
| logD: | 2.9583 |
| logSw: | -3.6224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.648 |
| InChI Key: | AYCGQRVLNMQIDP-UHFFFAOYSA-N |