Chemical ID: 4807450

CCOc1ccc(cc1)c2nnc3n2nc(s3)c4ccccn4
Chemical ID:
4807450
Name [?]:
6-(4-ethoxyphenyl)-3-(2-pyridyl)-2-thia-4,5,7,8-tetrazabicyclo[3.3.0]octa-3,6,8-triene
SMILES [?]:
CCOc1ccc(cc1)c2nnc3n2nc(s3)c4ccccn4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13N5OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0701
Area:523.771
Solvation:-3.02418
Coulombic:-25.9767
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.374
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.21
LogP (Chemaxon):3.01

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