Chemical ID: 4459669

Cc1cccc(c1)n2c(nnc2SCC(=O)Nc3ccccc3)Cc4ccccc4
Chemical ID:
4459669
Name [?]:
2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
SMILES [?]:
Cc1cccc(c1)n2c(nnc2SCC(=O)Nc3ccccc3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H22N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.9349
Area:647.034
Solvation:-3.24099
Coulombic:-34.6523
Bond Count [?]
All:33
Single:21
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.524
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.35
LogP (Chemaxon):5.01

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