2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-4899 |
| Compound Name: | 2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C18 H15 N O5 |
| Smiles: | COc1ccc(cc1)C(C(C#N)c1cc(c2c(c1)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.957 |
| logD: | 2.9533 |
| logSw: | -3.3645 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.736 |
| InChI Key: | ZYBVECSLEHAFHK-CQSZACIVSA-N |