Chemical ID: 5465695

Cc1c(cccc1Cl)n2c(nnc2SCc3ccc(cc3F)Br)c4ccncc4
Chemical ID:
5465695
Name [?]:
4-[5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-(3-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine
SMILES [?]:
Cc1c(cccc1Cl)n2c(nnc2SCc3ccc(cc3F)Br)c4ccncc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15BrClFN4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.859
Area:628.348
Solvation:-2.8497
Coulombic:-23.0626
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:489.792
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.62
LogP (Chemaxon):6.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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