Chemical ID: 5802565

c1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4ccc(cc4)Br)C#N)N
Chemical ID:
5802565
Name [?]:
4-amino-2-(4-bromophenyl)-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
c1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4ccc(cc4)Br)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H13BrN4O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.7049
Area:500.223
Solvation:-2.80068
Coulombic:-39.8282
Bond Count [?]
All:28
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:393.237
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.13
LogP (Chemaxon):4.38

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