2-[3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamido]benzoic acid
Chemical Structure Depiction of
2-[3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamido]benzoic acid
2-[3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 3681-3671 |
| Compound Name: | 2-[3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamido]benzoic acid |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C18 H12 N2 O5 |
| Smiles: | C1Oc2ccc(\C=C(/C#N)C(Nc3ccccc3C(O)=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6297 |
| logD: | -0.7876 |
| logSw: | -3.9049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.212 |
| InChI Key: | ICJQGOFWDSEVMK-UHFFFAOYSA-N |