1-(2-Chloro-5-(4-morpholinylmethyl)-3-thienyl)ethanone

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)c1cc(CN2CCOCC2)sc1Cl
InChIKey: LDMSSYCLKLIURE-UHFFFAOYSA-N
Molecular formula: C11H14ClNO2S
Average molar mass: 259.75 g/mol
Monoisotopic mass: 259.0433776

Names & identifiers

Preferred name: 1-(2-Chloro-5-(4-morpholinylmethyl)-3-thienyl)ethanone
IUPAC: 1-[2-chloro-5-(morpholin-4-ylmethyl)thiophen-3-yl]ethanone

Names & synonyms

1-(2-Chloro-5-(4-morpholinylmethyl)-3-thienyl)ethanone1-[2-chloro-5-(4-morpholinylmethyl)-3-thienyl]Ethanone390360-92-6SCHEMBL6284263LDMSSYCLKLIURE-UHFFFAOYSA-NDB-4073941-(2-Chloro-5-(morpholin-4-ylmethyl)thien-3-yl)ethanone

Database identifiers

PubChem CID: 22397205

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 258

Related reactions

6 records

New reaction record

HRID 411243As productuspto-grants-2003_05

HRID 411244As reactantuspto-grants-2003_05

HRID 832433As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1070661As productuspto-grants-2005_06

HRID 1070662As reactantuspto-grants-2005_06

HRID 1542042As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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