Racemic 2-[5-Chloro-2-(3-piperidin-3-yl-propylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide di-hydrochloride

HCID 68908024
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Basic information

Standard SMILES
Cl.Cl.O=C(NC1CC1)c1cccc2sc(-c3nc(NCCCC4CCCNC4)ncc3Cl)cc12
InChIKey
XLNRXECJXKLPJO-UHFFFAOYSA-N
Molecular formula
C24H30Cl3N5OS
Average molar mass
542.9 g/mol

Names & identifiers

Preferred name
Racemic 2-[5-Chloro-2-(3-piperidin-3-yl-propylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide di-hydrochloride
IUPAC
2-[5-chloro-2-(3-piperidin-3-ylpropylamino)pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide;dihydrochloride

Names & synonyms

SCHEMBL4089904XLNRXECJXKLPJO-UHFFFAOYSA-NRacemic 2-[5-Chloro-2-(3-piperidin-3-yl-propylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide di-hydrochloride

Database identifiers

PubChem CID
68908024

Properties

Computed structural properties

Topological polar surface area
107 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
34

Related reactions

1 records
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Compound notes

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