Chemical ID: 6455877

c1ccc(cc1)c2c3c(n[nH]2)OC(=C(C3c4ccc(c(c4)F)Br)C#N)N
Chemical ID:
6455877
Name [?]:
4-amino-2-(4-bromo-3-fluoro-phenyl)-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile
SMILES [?]:
c1ccc(cc1)c2c3c(n[nH]2)OC(=C(C3c4ccc(c(c4)F)Br)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H12BrFN4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.72529
Area:504.278
Solvation:-3.88166
Coulombic:-43.1152
Bond Count [?]
All:29
Single:19
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:411.227
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.22
LogP (Chemaxon):4.64

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue