Chemical ID: 4845452

c1cc(c(c(c1)Cl)CSc2nnc(n2c3ccc(cc3)Cl)c4ccncc4)F
Chemical ID:
4845452
Name [?]:
4-[5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILES [?]:
c1cc(c(c(c1)Cl)CSc2nnc(n2c3ccc(cc3)Cl)c4ccncc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H13Cl2FN4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4402
Area:615.52
Solvation:-2.94785
Coulombic:-23.3036
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:431.314
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.22
LogP (Chemaxon):5.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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