2-amino-6-(2-chloro-5-nitrophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-(2-chloro-5-nitrophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
2-amino-6-(2-chloro-5-nitrophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-2249 |
| Compound Name: | 2-amino-6-(2-chloro-5-nitrophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile |
| Molecular Weight: | 361.74 |
| Molecular Formula: | C15 H12 Cl N5 O4 |
| Smiles: | COC1(C2(C#N)C(c3cc(ccc3[Cl])[N+]([O-])=O)C2(C#N)C(N)=N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2026 |
| logD: | -0.4934 |
| logSw: | -3.0417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.56 |
| InChI Key: | KIBRMZOKICFEAU-UHFFFAOYSA-N |