Chemical ID: 3852812

COc1ccc(cc1)N2CCN(CC2)CC(=O)Nc3ccc(cc3)Br
Chemical ID:
3852812
Name [?]:
N-(4-bromophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)N2CCN(CC2)CC(=O)Nc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H22BrN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.59545
Area:571.829
Solvation:-4.70028
Coulombic:-38.9148
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:404.301
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):3.73

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