Chemical ID: 5928939

c1ccc(cc1)CNc2c(nc3n2cc(cc3)Br)c4ccc(cc4)O
Chemical ID:
5928939
Name [?]:
4-(7-benzylamino-4-bromo-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl)phenol
SMILES [?]:
c1ccc(cc1)CNc2c(nc3n2cc(cc3)Br)c4ccc(cc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16BrN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9245
Area:552.729
Solvation:-2.89367
Coulombic:-42.0257
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:394.265
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):5.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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