Chemical ID: 5859333

CCCOc1ccc(cc1)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
5859333
Name [?]:
3,4-dichloro-N-[2-methyl-1-[(4-propoxyphenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25Cl2N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.5455
Area:692.604
Solvation:-4.76963
Coulombic:-50.4172
Bond Count [?]
All:31
Single:22
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:450.358
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.29
LogP (Chemaxon):5.17

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