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2-Methyl-2-(3-phenylethynyl-pyrazin-2-yl)-propionic acid ethyl ester

HCID 69084174
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Basic information

Standard SMILES
CCOC(=O)C(C)(C)c1nccnc1C#Cc1ccccc1
InChIKey
MBBYVNPSBRSKLV-UHFFFAOYSA-N
Molecular formula
C18H18N2O2
Average molar mass
294.3 g/mol

Names & identifiers

Preferred name
2-Methyl-2-(3-phenylethynyl-pyrazin-2-yl)-propionic acid ethyl ester
IUPAC
ethyl 2-methyl-2-[3-(2-phenylethynyl)pyrazin-2-yl]propanoate

Names & synonyms

SCHEMBL4539811MBBYVNPSBRSKLV-UHFFFAOYSA-N2-methyl-2-(3-phenylethynyl-pyrazin-2-yl)-propionic acid ethyl ester

Database identifiers

PubChem CID
69084174

Properties

Computed structural properties

XLogP
3
Topological polar surface area
52.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
440

Related reactions

1 records
New reaction record
HRID 1852895 reaction equation
HRID 1852895As productuspto-grants-2015_02

Compound notes

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