2-amino-4,4-dimethoxy-6-[4-(methylsulfanyl)phenyl]-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-4,4-dimethoxy-6-[4-(methylsulfanyl)phenyl]-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
2-amino-4,4-dimethoxy-6-[4-(methylsulfanyl)phenyl]-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 6234-0380 |
| Compound Name: | 2-amino-4,4-dimethoxy-6-[4-(methylsulfanyl)phenyl]-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | COC1(C2(C#N)C(c3ccc(cc3)SC)C2(C#N)C(N)=N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3156 |
| logD: | -0.9343 |
| logSw: | -2.4917 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.179 |
| InChI Key: | BVHKJYWKHSNFQN-UHFFFAOYSA-N |