2-Methoxycarbonyl-3-chloro-4-((4-methylpiperazin-1-yl)methyl)thiophene

HCID 18376752
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Basic information

Standard SMILES
COC(=O)c1scc(CN2CCN(C)CC2)c1Cl
InChIKey
IKMKRPCVXKDSRB-UHFFFAOYSA-N
Molecular formula
C12H17ClN2O2S
Average molar mass
288.79 g/mol

Names & identifiers

Preferred name
2-Methoxycarbonyl-3-chloro-4-((4-methylpiperazin-1-yl)methyl)thiophene
IUPAC
methyl 3-chloro-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxylate

Names & synonyms

SCHEMBL6592233IKMKRPCVXKDSRB-UHFFFAOYSA-N2-methoxycarbonyl-3-chloro-4-((4-methylpiperazin-1-yl)methyl)thiophene

Database identifiers

PubChem CID
18376752

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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