Chemical ID: 4103309

c1ccc(cc1)Cn2c(nnc2SCc3cccc(c3)Br)COc4ccccc4
Chemical ID:
4103309
Name [?]:
4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole
SMILES [?]:
c1ccc(cc1)Cn2c(nnc2SCc3cccc(c3)Br)COc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20BrN3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6622
Area:638.622
Solvation:-3.30332
Coulombic:-24.5489
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.395
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.69
LogP (Chemaxon):6.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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