Chemical ID: 4332938

COc1cccc(c1OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)F
Chemical ID:
4332938
Name [?]:
(2,3-dimethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23FN2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.06433
Area:551.68
Solvation:-6.72767
Coulombic:-40.4213
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.407
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.64
LogP (Chemaxon):2.4

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