N-{2-[(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}alanine
Chemical Structure Depiction of
N-{2-[(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}alanine
N-{2-[(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}alanine
Compound characteristics
| Compound ID: | 8015-5677 |
| Compound Name: | N-{2-[(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}alanine |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C21 H27 N O6 |
| Smiles: | CCOc1ccc(CC(C2=C(CCCC2=O)NC(C)C(O)=O)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2755 |
| logD: | -1.8631 |
| logSw: | -2.0627 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.961 |
| InChI Key: | IYCHNUIBGBRZKZ-ZDUSSCGKSA-N |