Chemical ID: 4868656

COc1ccc(cc1Br)CSc2nnc(n2c3ccccc3)c4cc5ccccc5o4
Chemical ID:
4868656
Name [?]:
3-benzofuran-2-yl-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
SMILES [?]:
COc1ccc(cc1Br)CSc2nnc(n2c3ccccc3)c4cc5ccccc5o4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H18BrN3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9907
Area:664.635
Solvation:-3.62514
Coulombic:-31.5288
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:492.389
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.84
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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