Chemical ID: 5927816

Cc1ccc(cc1)c2c(n3cc(ccc3n2)Br)NC4CCCCC4
Chemical ID:
5927816
Name [?]:
3-bromo-N-cyclohexyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccc(cc1)c2c(n3cc(ccc3n2)Br)NC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22BrN3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8596
Area:531.734
Solvation:-1.43373
Coulombic:-26.3964
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:384.313
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.06
LogP (Chemaxon):5.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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