Chemical ID: 5358226

Cn1c(nnc1SCc2ccc(cc2)Br)c3cc4cccc(c4o3)OC
Chemical ID:
5358226
Name [?]:
3-[(4-bromophenyl)methylsulfanyl]-5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazole
SMILES [?]:
Cn1c(nnc1SCc2ccc(cc2)Br)c3cc4cccc(c4o3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16BrN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2352
Area:594.489
Solvation:-3.62703
Coulombic:-30.8555
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:430.319
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.27
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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