Chemical ID: 4454816

Cn1c(nnc1SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Cc3ccccc3
Chemical ID:
4454816
Name [?]:
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16ClF3N4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9752
Area:631.098
Solvation:-3.80225
Coulombic:-51.846
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.871
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.89
LogP (Chemaxon):3.88

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