2-[(3,4-diethoxyphenyl)acetyl]-3-(2-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
2-[(3,4-diethoxyphenyl)acetyl]-3-(2-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
2-[(3,4-diethoxyphenyl)acetyl]-3-(2-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8015-9070 |
| Compound Name: | 2-[(3,4-diethoxyphenyl)acetyl]-3-(2-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C27 H33 N O5 |
| Smiles: | CCOc1ccc(CC(C2=C(CC(C)(C)CC2=O)Nc2ccccc2OC)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.5444 |
| logD: | 2.3664 |
| logSw: | -4.4416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.728 |
| InChI Key: | NNKVYRDXKZZPIP-UHFFFAOYSA-N |