Chemical ID: 3841957

c1ccc(cc1)CSc2nnc(n2c3ccccc3)c4ccccc4Br
Chemical ID:
3841957
Name [?]:
3-benzylsulfanyl-5-(2-bromophenyl)-4-phenyl-1,2,4-triazole
SMILES [?]:
c1ccc(cc1)CSc2nnc(n2c3ccccc3)c4ccccc4Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16BrN3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.799
Area:576.625
Solvation:-1.61667
Coulombic:-17.5111
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:422.342
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.87
LogP (Chemaxon):6.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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