2-amino-4,4-bis(ethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-4,4-bis(ethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
2-amino-4,4-bis(ethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 6234-0682 |
| Compound Name: | 2-amino-4,4-bis(ethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C20 H24 N4 O3 S2 |
| Smiles: | CCSC1(C2(C#N)C(c3ccc(c(c3OC)OC)OC)C2(C#N)C(N)=N1)SCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.734 |
| logD: | 1.4707 |
| logSw: | -4.1283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.723 |
| InChI Key: | JQPWBOSVYPFINP-UHFFFAOYSA-N |