Chemical ID: 5858796

CCOc1c(cc(cc1Br)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)Cl)OC
Chemical ID:
5858796
Name [?]:
N-[1-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-4-chloro-benzamide
SMILES [?]:
CCOc1c(cc(cc1Br)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)Cl)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25BrClN3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.9077
Area:690.251
Solvation:-6.34855
Coulombic:-56.5552
Bond Count [?]
All:32
Single:23
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:510.808
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.75
LogP (Chemaxon):4.72

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