Chemical ID: 5930525

c1ccc(cc1)C(=O)Oc2ccc(cc2)c3c(n4cc(ccc4n3)Br)NC5CCCCC5
Chemical ID:
5930525
Name [?]:
[4-(3-bromo-9-cyclohexylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)c3c(n4cc(ccc4n3)Br)NC5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H24BrN3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.288
Area:660.26
Solvation:-2.21853
Coulombic:-46.9864
Bond Count [?]
All:36
Single:25
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:490.392
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.13
LogP (Chemaxon):6.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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