propyl 3-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutanecarboxylate

HCID 67009019
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Basic information

Standard SMILES
CCCOC(=O)C1CC(n2c(=O)c(Cc3ccc(-c4ccccc4C#N)cc3)c(CCC)n3ncnc23)C1
InChIKey
FEVJGUGLJTWBDN-UHFFFAOYSA-N
Molecular formula
C30H31N5O3
Average molar mass
509.6 g/mol
Monoisotopic mass
509.24268987

Names & identifiers

Preferred name
propyl 3-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutanecarboxylate
IUPAC
propyl 3-[6-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]cyclobutane-1-carboxylate

Names & synonyms

SCHEMBL1371277FEVJGUGLJTWBDN-UHFFFAOYSA-Npropyl 3-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutanecarboxylate

Database identifiers

PubChem CID
67009019

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
38

Related reactions

16 records
New reaction record

Compound notes

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propyl 3-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutanecarboxylate (HCID 67009019)｜Huagongshe