Chemical ID: 5278778

c1ccc(cc1)C2=CC(n3c(nc(n3)NC(=O)c4cccnc4)N2)c5ccc(cc5)F
Chemical ID:
5278778
Name [?]:
N-[2-(4-fluorophenyl)-4-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-8-yl]pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)C2=CC(n3c(nc(n3)NC(=O)c4cccnc4)N2)c5ccc(cc5)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H17FN6O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.0759
Area:629.576
Solvation:-4.66349
Coulombic:-55.9965
Bond Count [?]
All:35
Single:22
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.419
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):3.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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