Chemical ID: 5927829

c1cc2c(cc1c3c(n4cc(ccc4n3)Br)NC5CCCCC5)OCO2
Chemical ID:
5927829
Name [?]:
8-benzo[1,3]dioxol-5-yl-3-bromo-N-cyclohexyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
c1cc2c(cc1c3c(n4cc(ccc4n3)Br)NC5CCCCC5)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20BrN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.837
Area:548.296
Solvation:-2.87038
Coulombic:-41.387
Bond Count [?]
All:30
Single:23
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:414.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.38
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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