Chemical ID: 4807354

Cc1cc(n2c(n1)c(c(n2)C)c3ccc(cc3)Cl)SCC(=O)c4cccs4
Chemical ID:
4807354
Name [?]:
2-[[7-(4-chlorophenyl)-4,8-dimethyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl]sulfanyl]-1-(2-thienyl)ethanone
SMILES [?]:
Cc1cc(n2c(n1)c(c(n2)C)c3ccc(cc3)Cl)SCC(=O)c4cccs4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16ClN3OS2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.3876
Area:604.007
Solvation:-2.71257
Coulombic:-21.3858
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.945
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.92
LogP (Chemaxon):4.22

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