ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
Chemical Structure Depiction of
ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
Compound characteristics
| Compound ID: | 3379-1176 |
| Compound Name: | ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C20 H19 N O4 |
| Smiles: | CCOC(C(C#N)C(Cc1ccccc1)c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.075 |
| logD: | 4.0736 |
| logSw: | -4.2052 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.892 |
| InChI Key: | SHOOUTRHZYZRBO-UHFFFAOYSA-N |