4-[(4-bromoanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Chemical Structure Depiction of
4-[(4-bromoanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
4-[(4-bromoanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Compound characteristics
| Compound ID: | 5122-2919 |
| Compound Name: | 4-[(4-bromoanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C23 H17 Br N2 O3 |
| Smiles: | COc1ccc(cc1)N1C(C(=C/Nc2ccc(cc2)[Br])/c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3782 |
| logD: | 4.3774 |
| logSw: | -4.4173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.387 |
| InChI Key: | UFSWXORZKDTZMS-UHFFFAOYSA-N |