Chemical ID: 4825288

Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=Cc3ccccc3C(F)(F)F
Chemical ID:
4825288
Name [?]:
2-[4-(p-tolylsulfonyl)piperazin-1-yl]-N-[[2-(trifluoromethyl)phenyl]methyleneamino]acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=Cc3ccccc3C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23F3N4O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.7769
Area:662.809
Solvation:-5.79333
Coulombic:-49.4121
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:468.494
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.85
LogP (Chemaxon):3.55

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