Chemical ID: 4375835

c1ccc2c(c1)cccc2c3c4c([nH]n3)OC(=C(C4c5ccc(c(c5)Br)F)C#N)N
Chemical ID:
4375835
Name [?]:
4-amino-2-(3-bromo-4-fluoro-phenyl)-9-(1-naphthyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
c1ccc2c(c1)cccc2c3c4c([nH]n3)OC(=C(C4c5ccc(c(c5)Br)F)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H14BrFN4O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.73311
Area:550.099
Solvation:-4.01937
Coulombic:-43.437
Bond Count [?]
All:34
Single:22
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:461.286
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.55
LogP (Chemaxon):5.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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