2-phenyl-6-(1-phenyl-1H-pyrazol-5-yl)-4H-thiopyran-4-one

HCID 68014785
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Basic information

Standard SMILES
O=c1cc(-c2ccccc2)sc(-c2ccnn2-c2ccccc2)c1
InChIKey
VFTQLWQRMKTTCI-UHFFFAOYSA-N
Molecular formula
C20H14N2OS
Average molar mass
330.4 g/mol

Names & identifiers

Preferred name
2-phenyl-6-(1-phenyl-1H-pyrazol-5-yl)-4H-thiopyran-4-one
IUPAC
2-phenyl-6-(2-phenylpyrazol-3-yl)thiopyran-4-one

Names & synonyms

SCHEMBL10040102VFTQLWQRMKTTCI-UHFFFAOYSA-N2-phenyl-6-(1-phenyl-1H-pyrazol-5-yl)-4H-thiopyran-4-one

Database identifiers

PubChem CID
68014785

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
60.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
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Compound notes

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