5-Allyloxy-1-[4-butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridine

HCID 57713032
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Basic information

Standard SMILES
C=CCOc1cnc2c(ccn2Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2CCCC)c1
InChIKey
OHGDJCWQAHMBKQ-UHFFFAOYSA-N
Molecular formula
C25H24F3N3OS
Average molar mass
471.5 g/mol

Names & identifiers

Preferred name
5-Allyloxy-1-[4-butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
IUPAC
4-butyl-5-[(5-prop-2-enoxypyrrolo[2,3-b]pyridin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Names & synonyms

5-Allyloxy-1-[4-butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridineSCHEMBL4079338

Database identifiers

PubChem CID
57713032

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

2 records
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Compound notes

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