2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one
Chemical Structure Depiction of
2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one
2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8015-9006 |
| Compound Name: | 2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C26 H30 N2 O6 |
| Smiles: | CCOc1ccc(CC(C2=C(CC(C)(C)CC2=O)Nc2cccc(c2)[N+]([O-])=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.599 |
| logD: | 1.2487 |
| logSw: | -4.4987 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.177 |
| InChI Key: | BWLPMVIEPBUTMA-UHFFFAOYSA-N |