Chemical ID: 6593905

CCn1c(nnc1SCC(=O)c2ccc(cc2)F)c3ccccc3
Chemical ID:
6593905
Name [?]:
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)c2ccc(cc2)F)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16FN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0592
Area:544.928
Solvation:-3.56395
Coulombic:-26.0278
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.404
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.7
LogP (Chemaxon):3.76

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