Chemical ID: 5922715

CCN1CCN(CC1)C(=O)CC(c2ccc(cc2)F)c3cn(c4c3cccc4)Cc5ccc(cc5)C
Chemical ID:
5922715
Name [?]:
1-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-3-[1-(p-tolylmethyl)indol-3-yl]-propan-1-one
SMILES [?]:
CCN1CCN(CC1)C(=O)CC(c2ccc(cc2)F)c3cn(c4c3cccc4)Cc5ccc(cc5)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H34FN3O
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.8569
Area:736.065
Solvation:-4.54472
Coulombic:-32.7469
Bond Count [?]
All:40
Single:29
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:483.62
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.79
LogP (Chemaxon):6.42

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