Chemical ID: 5927810

CN(C)c1ccc(cc1)c2c(n3cc(ccc3n2)Br)NC4CCCCC4
Chemical ID:
5927810
Name [?]:
3-bromo-N-cyclohexyl-8-(4-dimethylaminophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
CN(C)c1ccc(cc1)c2c(n3cc(ccc3n2)Br)NC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25BrN4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.2906
Area:570.657
Solvation:-1.97582
Coulombic:-31.8387
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:413.354
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.83
LogP (Chemaxon):5.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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