Chemical ID: 5550363

Cn1c(nnc1SCc2ccc(c(c2)F)OC)c3ccc(cc3)Cl
Chemical ID:
5550363
Name [?]:
3-(4-chlorophenyl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
SMILES [?]:
Cn1c(nnc1SCc2ccc(c(c2)F)OC)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15ClFN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.8534
Area:561.926
Solvation:-4.19474
Coulombic:-25.9527
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.838
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.2
LogP (Chemaxon):4.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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