5-(1-Benzothiophen-2-yl)-1-benzylpyridin-2-one
Basic information
- CAS
6485-88-7- Standard SMILES
O=c1ccc(-c2cc3ccccc3s2)cn1Cc1ccccc1- InChIKey
SYUVIKOGSOOXDW-UHFFFAOYSA-N- Molecular formula
- C20H15NOS
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.08743528
Names & identifiers
- Preferred name
- 5-(1-Benzothiophen-2-yl)-1-benzylpyridin-2-one
- IUPAC
- 5-(1-benzothiophen-2-yl)-1-benzylpyridin-2-one
Names & synonyms
6485-88-75-(1-benzothiophen-2-yl)-1-benzylpyridin-2-oneDTXSID904099425-(1-Benzothiophen-2-yl)-1-benzylpyridin-2(1H)-one
Database identifiers
- CAS
6485-88-7- PubChem CID
- 5207150
- DTXSID
DTXSID90409942
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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