Chemical ID: 5548327

CCOc1ccc(cc1)NCc2cc(c(c(c2)Br)OCc3ccc(cc3)C)OC
Chemical ID:
5548327
Name [?]:
N-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2cc(c(c(c2)Br)OCc3ccc(cc3)C)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26BrNO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.1262
Area:667.303
Solvation:-5.55636
Coulombic:-36.3701
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:456.372
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.22
LogP (Chemaxon):6.02

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