Chemical ID: 5765488

c1c2c(nc(c1C#N)SCC=CCSc3c(cc4c(n3)CCC4)C#N)CCC2
Chemical ID:
5765488
Name [?]:
4-[4-[(3-cyano-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]but-2-enylsulfanyl]-5-azabicyclo[4.3.0]nona-2,4,10-triene-3-carbonitrile
SMILES [?]:
c1c2c(nc(c1C#N)SCC=CCSc3c(cc4c(n3)CCC4)C#N)CCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N4S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.9673
Area:656.854
Solvation:-2.45407
Coulombic:-19.8017
Bond Count [?]
All:31
Single:22
Double:7
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:404.553
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):5.47

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue