(5-Phenylthiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone

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Basic information

Standard SMILES: COc1cc(C(=O)c2csc(-c3ccccc3)c2)cc(OC)c1OC
InChIKey: RCMUDRGNWXWSMH-UHFFFAOYSA-N
Molecular formula: C20H18O4S
Average molar mass: 354.4 g/mol

Names & identifiers

Preferred name: (5-Phenylthiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone
IUPAC: (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

Names & synonyms

SCHEMBL724212CHEMBL1830205RCMUDRGNWXWSMH-UHFFFAOYSA-NDB-406131(5-Phenyl-3-thienyl)(3,4,5-trimethoxyphenyl)methanone(5-Phenylthiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone1311195-63-7

Database identifiers

PubChem CID: 53364124
ChEMBL: CHEMBL1830205

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 73 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 423

Related reactions

2 records

New reaction record

HRID 63194As productuspto-grants-2016_09

HRID 70021As productuspto-grants-2014_09

Compound notes

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