Chemical ID: 5545465

Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)c4ccc(cc4)OC)Br
Chemical ID:
5545465
Name [?]:
(5-bromo-3-methyl-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]-methanone
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)c4ccc(cc4)OC)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7858
Area:581.392
Solvation:-3.74902
Coulombic:-40.9141
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.29
LogP (Chemaxon):4.5

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