5,5-dimethyl-2-[(2-phenoxyanilino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-[(2-phenoxyanilino)methylidene]cyclohexane-1,3-dione
5,5-dimethyl-2-[(2-phenoxyanilino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 2104-0026 |
| Compound Name: | 5,5-dimethyl-2-[(2-phenoxyanilino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CC1(C)CC(C(=CNc2ccccc2Oc2ccccc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0193 |
| logD: | 4.0113 |
| logSw: | -4.4093 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.392 |
| InChI Key: | GNJVHEGJXQNPHF-UHFFFAOYSA-N |