5-(4-methoxyphenyl)-2-[(4-nitroanilino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5-(4-methoxyphenyl)-2-[(4-nitroanilino)methylidene]cyclohexane-1,3-dione
5-(4-methoxyphenyl)-2-[(4-nitroanilino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3410-1686 |
| Compound Name: | 5-(4-methoxyphenyl)-2-[(4-nitroanilino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | COc1ccc(cc1)C1CC(C(=CNc2ccc(cc2)[N+]([O-])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7745 |
| logD: | 2.4903 |
| logSw: | -4.1884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.91 |
| InChI Key: | UJGJWQKWSRXZPA-UHFFFAOYSA-N |