1-[4-(4-Methoxy-phenyl)-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridin-3-yl)-ethanone

HCID 11624491
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Basic information

Standard SMILES
COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(c23)CCCC4)cc1
InChIKey
KJXODBWDLIIHMX-UHFFFAOYSA-N
Molecular formula
C21H21NO2S
Average molar mass
351.5 g/mol
Monoisotopic mass
351.12930009

Names & identifiers

Preferred name
1-[4-(4-Methoxy-phenyl)-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridin-3-yl)-ethanone
IUPAC
1-[4-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]ethanone

Names & synonyms

SCHEMBL4060486KJXODBWDLIIHMX-UHFFFAOYSA-N1-[4-(4-methoxy-phenyl)-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridin-3-yl)-ethanone

Database identifiers

PubChem CID
11624491

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

Related reactions

1 records
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Compound notes

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