5,5-dimethyl-2-{[(pyridin-4-yl)amino]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-{[(pyridin-4-yl)amino]methylidene}cyclohexane-1,3-dione
5,5-dimethyl-2-{[(pyridin-4-yl)amino]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4286-0201 |
| Compound Name: | 5,5-dimethyl-2-{[(pyridin-4-yl)amino]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C14 H16 N2 O2 |
| Smiles: | CC1(C)CC(C(=CNc2ccncc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4054 |
| logD: | 1.0825 |
| logSw: | -1.4335 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.684 |
| InChI Key: | ZBQISKYQFYVPCA-UHFFFAOYSA-N |