Chemical ID: 5927868

COc1ccc(cc1OC)c2c(n3cc(ccc3n2)Cl)NC4CCCCC4
Chemical ID:
5927868
Name [?]:
3-chloro-N-cyclohexyl-8-(3,4-dimethoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
COc1ccc(cc1OC)c2c(n3cc(ccc3n2)Cl)NC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.89302
Area:585.32
Solvation:-4.73997
Coulombic:-39.3775
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.887
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.01
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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