3-(2H-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1337 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)prop-2-enamide |
| Molecular Weight: | 292.29 |
| Molecular Formula: | C17 H12 N2 O3 |
| Smiles: | C1Oc2ccc(/C=C/C(Nc3ccc(C#N)cc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3567 |
| logD: | 3.3563 |
| logSw: | -3.6324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.288 |
| InChI Key: | RTWWROJJJMPJJU-UHFFFAOYSA-N |