Chemical ID: 5792914

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3cccc(c3)Br
Chemical ID:
5792914
Name [?]:
[4-[(3-bromobenzoyl)aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17BrN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9993
Area:643.547
Solvation:-5.08933
Coulombic:-47.7417
Bond Count [?]
All:31
Single:19
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:453.285
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.21
LogP (Chemaxon):5.01

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