4-amino-4'-methyl-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-4'-methyl-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
4-amino-4'-methyl-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-6812 |
| Compound Name: | 4-amino-4'-methyl-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | CC1COC2(C3(C#N)C(c4ccc(cc4)SC)C3(C#N)C(N)=N2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4072 |
| logD: | -0.5953 |
| logSw: | -2.6344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.59 |
| InChI Key: | ZZJGVOXXUJAQLL-UHFFFAOYSA-N |