Chemical ID: 4652353

c1cc(sc1)C2=NN(C(C2)c3ccc(cc3)F)C(=O)CN4CCCCC4
Chemical ID:
4652353
Name [?]:
1-[5-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-(1-piperidyl)ethanone
SMILES [?]:
c1cc(sc1)C2=NN(C(C2)c3ccc(cc3)F)C(=O)CN4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22FN3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7331
Area:576.957
Solvation:-3.69086
Coulombic:-25.7258
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.473
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.32
LogP (Chemaxon):3.27

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