2-(2-(1-Benzothiophene-6-yl)ethoxy)-1-(3-hydroxy-1-pyrrolidinyl)-1-ethanone

HCID 21990140

Notes Reactions

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Basic information

Standard SMILES: O=C(COCCc1ccc2ccsc2c1)N1CCC(O)C1
InChIKey: QMNVQTAUDHIASB-UHFFFAOYSA-N
Molecular formula: C16H19NO3S
Average molar mass: 305.4 g/mol

Names & identifiers

Preferred name: 2-(2-(1-Benzothiophene-6-yl)ethoxy)-1-(3-hydroxy-1-pyrrolidinyl)-1-ethanone
IUPAC: 2-[2-(1-benzothiophen-6-yl)ethoxy]-1-(3-hydroxypyrrolidin-1-yl)ethanone

Names & synonyms

SCHEMBL48050QMNVQTAUDHIASB-UHFFFAOYSA-N2-(2-(1-benzothiophene-6-yl)ethoxy)-1-(3-hydroxy-1-pyrrolidinyl)-1-ethanone2-[2-(1-benzothiophen-6-yl)ethoxy]-1-(3-hydroxy-1-pyrrolidinyl)-1-ethanone

Database identifiers

PubChem CID: 21990140

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 78 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 365

Related reactions

6 records

New reaction record

HRID 562386As productuspto-grants-2011_11

HRID 562387As reactantuspto-grants-2011_11

HRID 597813As productuspto-grants-2011_03

HRID 597814As reactantuspto-grants-2011_03

HRID 1126944As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2138402As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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