Methyl 4'-(2-chloro-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

HCID 57747321
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(-c2cc(C)c(Oc3nc(Cl)nc4c3ncn4C)c(C)c2)cc1
InChIKey
PEZIGUQNVGXHJP-UHFFFAOYSA-N
Molecular formula
C22H19ClN4O3
Average molar mass
422.9 g/mol

Names & identifiers

Preferred name
Methyl 4'-(2-chloro-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate
IUPAC
methyl 4-[4-(2-chloro-9-methylpurin-6-yl)oxy-3,5-dimethylphenyl]benzoate

Names & synonyms

SCHEMBL4104237PEZIGUQNVGXHJP-UHFFFAOYSA-NMethyl 4'-(2-chloro-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

Database identifiers

PubChem CID
57747321

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
79.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

Related reactions

6 records
New reaction record

Compound notes

Loading…