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N-[2-[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]methanesulfonamide

HCID 21253751
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3c(c2)N(CCNS(C)(=O)=O)CCC3)cc1
InChIKey
QYNJAFQKTSKUEP-UHFFFAOYSA-N
Molecular formula
C35H47N3O6S
Average molar mass
637.8 g/mol

Names & identifiers

Preferred name
N-[2-[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]methanesulfonamide
IUPAC
N-[2-[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]methanesulfonamide

Names & synonyms

SCHEMBL5560719

Database identifiers

PubChem CID
21253751

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
16
Heavy atoms
45
Formal charge
0
Complexity
942

Related reactions

1 records
New reaction record
HRID 89058 reaction equation
HRID 89058As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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