3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-4738 |
| Compound Name: | 3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C19 H17 N O6 |
| Smiles: | COc1ccc(cc1)C(C#N)C(c1cc(c2c(c1OC)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9507 |
| logD: | 2.947 |
| logSw: | -3.4122 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.137 |
| InChI Key: | XORQGRQIUJXEHR-CQSZACIVSA-N |