Chemical ID: 5840772

c1ccc(cc1)CN2CCN(CC2)C(=S)Nc3ccc(c(c3)Cl)F
Chemical ID:
5840772
Name [?]:
4-benzyl-N,N-bis(4-benzylpiperazin-6-yl)-piperazine-1-carbothioamide
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)C(=S)Nc3ccc(c(c3)Cl)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19ClFN3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3149
Area:559.6
Solvation:-2.67505
Coulombic:-29.857
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:363.881
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.56

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