8-Benzyl-3-[2-(3-carboxyphenyl)ethyl]-1-propylxanthine

HCID 10071457
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Basic information

Standard SMILES
CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCc2cccc(C(=O)O)c2)c1=O
InChIKey
PVLKUZMHKGQVTP-UHFFFAOYSA-N
Molecular formula
C24H24N4O4
Average molar mass
432.5 g/mol

Names & identifiers

Preferred name
8-Benzyl-3-[2-(3-carboxyphenyl)ethyl]-1-propylxanthine
IUPAC
3-[2-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]benzoic acid

Names & synonyms

SCHEMBL4413077PVLKUZMHKGQVTP-UHFFFAOYSA-N8-benzyl-3-[2-(3-carboxyphenyl)ethyl]-1-propylxanthine

Database identifiers

PubChem CID
10071457

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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