Chemical ID: 4131734

c1cc(cnc1)c2nnc(n2c3ccc(cc3)Br)SCc4ccc(cc4)Br
Chemical ID:
4131734
Name [?]:
3-[4-(4-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SMILES [?]:
c1cc(cnc1)c2nnc(n2c3ccc(cc3)Br)SCc4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H14Br2N4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.3176
Area:613.492
Solvation:-2.01976
Coulombic:-20.1314
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:502.226
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.41
LogP (Chemaxon):5.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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