2-amino-6-(2H-1,3-benzodioxol-5-yl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-(2H-1,3-benzodioxol-5-yl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
2-amino-6-(2H-1,3-benzodioxol-5-yl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-3371 |
| Compound Name: | 2-amino-6-(2H-1,3-benzodioxol-5-yl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C16 H14 N4 O4 |
| Smiles: | COC1(C2(C#N)C(c3ccc4c(c3)OCO4)C2(C#N)C(N)=N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5266 |
| logD: | -1.7233 |
| logSw: | -1.8328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.294 |
| InChI Key: | PNKPXOCANVHXSM-UHFFFAOYSA-N |