Chemical ID: 5561102

Cc1ccc(cc1)n2c(nnc2SCC(=O)C)c3cccc(c3)C
Chemical ID:
5561102
Name [?]:
1-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC(=O)C)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9264
Area:549.395
Solvation:-2.80847
Coulombic:-20.919
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.44
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.88
LogP (Chemaxon):4.65

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