Chemical ID: 5462662

c1ccc(cc1)Cn2c(nnc2SCC(=O)NCCN3C(=O)CSC3=O)c4ccccc4F
Chemical ID:
5462662
Name [?]:
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,4-dioxothiazolidin-3-yl)ethyl]acetamide
SMILES [?]:
c1ccc(cc1)Cn2c(nnc2SCC(=O)NCCN3C(=O)CSC3=O)c4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20FN5O3S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.5742
Area:698.105
Solvation:-5.87847
Coulombic:-63.6005
Bond Count [?]
All:36
Single:25
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:485.556
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.06
LogP (Chemaxon):2.77

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