Chemical ID: 5309847

CCn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)O)c3cc4ccccc4o3
Chemical ID:
5309847
Name [?]:
3-[2-[(5-benzofuran-2-yl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]aminobenzoic acid
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)O)c3cc4ccccc4o3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1144
Area:653.556
Solvation:-4.22451
Coulombic:-69.1285
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.458
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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