Chemical ID: 5930561

COc1cc(ccc1OC(=O)c2ccccc2)c3c(n4cc(ccc4n3)Br)NC5CCCCC5
Chemical ID:
5930561
Name [?]:
[4-(3-bromo-9-cyclohexylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)-2-methoxy-phenyl] benzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2)c3c(n4cc(ccc4n3)Br)NC5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26BrN3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.9292
Area:692.543
Solvation:-3.38434
Coulombic:-54.1985
Bond Count [?]
All:38
Single:27
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:520.418
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.77
LogP (Chemaxon):6.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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