Chemical ID: 5343231

Cn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)O)c3cc4cc(ccc4o3)Cl
Chemical ID:
5343231
Name [?]:
3-[2-[[5-(5-chlorobenzofuran-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)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15ClN4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.3379
Area:665.627
Solvation:-4.30275
Coulombic:-68.617
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.876
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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