Chemical ID: 4498775

Cc1cc(cc(c1NC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)C)Br
Chemical ID:
4498775
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-4-(1-piperidyl)benzamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22BrN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:5.48355
Area:585.99
Solvation:-9.16621
Coulombic:-37.6424
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:432.311
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.09
LogP (Chemaxon):4.47

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