4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide

HCID 286326
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Basic information

Standard SMILES
COc1ccc(C=C2CS(=O)(=O)CC(=Cc3ccc(OC)cc3)C2=O)cc1
InChIKey
NXXRLIAVYCJUJL-UHFFFAOYSA-N
Molecular formula
C21H20O5S
Average molar mass
384.4 g/mol

Names & identifiers

Preferred name
4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide
IUPAC
3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dioxothian-4-one

Names & synonyms

MLS002920620CHEMBL1894615SCHEMBL11613579NXXRLIAVYCJUJL-UHFFFAOYSA-NSMR0017982074H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxidetetrahydro-3,5-bis(4-methoxyphenylmethylene)-4H-thiopyran-4-one-1,1-dioxide

Database identifiers

PubChem CID
286326
ChEMBL
CHEMBL1894615

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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