N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-2-fluoro-benzenesulfonamide

HCID 10076916
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Basic information

Standard SMILES
CCCCn1c(=O)n(Cc2ccccc2F)c(=O)c2[nH]c(Cc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nc21
InChIKey
KLSCTCBMKDQXJO-UHFFFAOYSA-N
Molecular formula
C29H27F2N5O4S
Average molar mass
579.6 g/mol

Names & identifiers

Preferred name
N-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-2-fluoro-benzenesulfonamide
IUPAC
N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2-fluorobenzenesulfonamide

Names & synonyms

SCHEMBL4615648KLSCTCBMKDQXJO-UHFFFAOYSA-NN-{4-[3-Butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-2-fluoro-benzenesulfonamide

Database identifiers

PubChem CID
10076916

Properties

Computed structural properties

XLogP
5
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
41

Related reactions

2 records
New reaction record

Linked notes

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