2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-7616 |
| Compound Name: | 2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C19 H17 N O6 |
| Smiles: | COc1ccc(cc1)C(C(C#N)c1cc2c(c(c1OC)OC)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8498 |
| logD: | 2.8461 |
| logSw: | -3.3393 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.539 |
| InChI Key: | HQWCKMDTDCFYPE-CQSZACIVSA-N |