1-[3-(Benzo[b]thien-3-yl)propyl]-4-(5-methoxy-4-pyrimidinyl)-2-methylpiperazine hydrochloride

HCID 19081520
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Basic information

Standard SMILES
COc1cncnc1N1CCN(CCCc2csc3ccccc23)C(C)C1.Cl
InChIKey
NZIQRSBDFPBRMN-UHFFFAOYSA-N
Molecular formula
C21H27ClN4OS
Average molar mass
419 g/mol

Names & identifiers

Preferred name
1-[3-(Benzo[b]thien-3-yl)propyl]-4-(5-methoxy-4-pyrimidinyl)-2-methylpiperazine hydrochloride
IUPAC
4-[4-[3-(1-benzothiophen-3-yl)propyl]-3-methylpiperazin-1-yl]-5-methoxypyrimidine;hydrochloride

Names & synonyms

SCHEMBL8787602NZIQRSBDFPBRMN-UHFFFAOYSA-N1-[3-(benzo[b]thien-3-yl)propyl]-4-(5-methoxy-4-pyrimidinyl)-2-methylpiperazine hydrochloride

Database identifiers

PubChem CID
19081520

Properties

Computed structural properties

Topological polar surface area
69.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

Related reactions

1 records
New reaction record

Compound notes

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1-[3-(Benzo[b]thien-3-yl)propyl]-4-(5-methoxy-4-pyrimidinyl)-2-methylpiperazine hydrochloride (HCID 19081520)｜Huagongshe