2-[(benzylamino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(benzylamino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
2-[(benzylamino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3966-4546 |
| Compound Name: | 2-[(benzylamino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | COc1ccc(cc1)C1CC(C(=CNCc2ccccc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9032 |
| logD: | 2.9002 |
| logSw: | -3.1965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.059 |
| InChI Key: | INGROTHXECWDSG-UHFFFAOYSA-N |