3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-4739 |
| Compound Name: | 3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C18 H15 N O5 |
| Smiles: | COc1ccc(cc1)C(C#N)C(c1cc(c2c(c1)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9092 |
| logD: | 2.9055 |
| logSw: | -3.3656 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.736 |
| InChI Key: | KJYNNLFVAYHMAZ-CQSZACIVSA-N |