Chemical ID: 4711345

Cc1ccc(cc1)CSc2nnc(n2c3ccccc3)CNC(=O)c4ccc(cc4)F
Chemical ID:
4711345
Name [?]:
4-fluoro-N-[[4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide
SMILES [?]:
Cc1ccc(cc1)CSc2nnc(n2c3ccccc3)CNC(=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21FN4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.3511
Area:678.278
Solvation:-3.60586
Coulombic:-40.7754
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:432.514
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.84
LogP (Chemaxon):4.87

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