Chemical ID: 5245940

c1cnccc1C(=O)Cc2c(=CC(=O)c3ccncc3)n4c(=N)[nH]nc4n2
Chemical ID:
5245940
Name [?]:
2-[2-imino-8-[2-oxo-2-(4-pyridyl)ethylidene]-1,3,4,6-tetrazabicyclo[3.3.0]octa-4,6-dien-7-yl]-1-(4-pyridyl)ethanone
SMILES [?]:
c1cnccc1C(=O)Cc2c(=CC(=O)c3ccncc3)n4c(=N)[nH]nc4n2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13N7O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.77714
Area:548.465
Solvation:-5.93449
Coulombic:-57.8713
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:359.342
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.45
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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