3-(benzylamino)-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(benzylamino)-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
3-(benzylamino)-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8015-0788 |
| Compound Name: | 3-(benzylamino)-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C27 H33 N O4 |
| Smiles: | CCOc1ccc(CC(C2=C(CC(C)(C)CC2=O)NCc2ccccc2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.0435 |
| logD: | 3.6052 |
| logSw: | -4.1524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.118 |
| InChI Key: | QMBPVCIELMAIIZ-UHFFFAOYSA-N |