Chemical ID: 5857444

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])N2CCOCC2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5857444
Name [?]:
4-chloro-N-[2-methyl-1-[(4-morpholino-3-nitro-phenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])N2CCOCC2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26ClN5O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:6.07133
Area:724.992
Solvation:-12.0535
Coulombic:-66.4653
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:487.936
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:4.55
LogP (Chemaxon):3.97

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