Chemical ID: 4488659

Cn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)O)c3cc4cc(ccc4o3)Br
Chemical ID:
4488659
Name [?]:
3-[2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoic acid
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)O)c3cc4cc(ccc4o3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15BrN4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2861
Area:661.173
Solvation:-4.2432
Coulombic:-68.3895
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:487.328
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.0
LogP (Chemaxon):3.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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