Chemical ID: 5927870

COc1ccccc1c2c(n3cc(ccc3n2)Cl)NC4CCCCC4
Chemical ID:
5927870
Name [?]:
3-chloro-N-cyclohexyl-8-(2-methoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
COc1ccccc1c2c(n3cc(ccc3n2)Cl)NC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22ClN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5429
Area:545.18
Solvation:-3.08666
Coulombic:-32.8057
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.861
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.36
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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