2-[(5-chloro-2-methoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(5-chloro-2-methoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(5-chloro-2-methoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 2104-0030 |
| Compound Name: | 2-[(5-chloro-2-methoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 307.77 |
| Molecular Formula: | C16 H18 Cl N O3 |
| Smiles: | CC1(C)CC(C(=CNc2cc(ccc2OC)[Cl])C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0578 |
| logD: | 1.3737 |
| logSw: | -3.3261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.188 |
| InChI Key: | LDPZUKKFJDNUIP-UHFFFAOYSA-N |