Chemical ID: 5930085

c1ccc(cc1)CNc2c(nc3n2cc(cc3)Br)c4ccccc4OC(=O)c5ccc(cc5)F
Chemical ID:
5930085
Name [?]:
[2-(7-benzylamino-4-bromo-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl)phenyl] 4-fluorobenzoate
SMILES [?]:
c1ccc(cc1)CNc2c(nc3n2cc(cc3)Br)c4ccccc4OC(=O)c5ccc(cc5)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H19BrFN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.3614
Area:672.405
Solvation:-3.44869
Coulombic:-50.59
Bond Count [?]
All:38
Single:24
Double:14
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:516.361
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.17
LogP (Chemaxon):6.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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