Chemical ID: 6607607

c1ccc(cc1)n2c(nnc2SCc3ccc(c(c3)Cl)Cl)c4ccco4
Chemical ID:
6607607
Name [?]:
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCc3ccc(c(c3)Cl)Cl)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H13Cl2N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.6346
Area:598.824
Solvation:-2.33599
Coulombic:-23.8189
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.298
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.01
LogP (Chemaxon):5.6

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