N-[2-(3,4-Difluorophenyl)-4-[4-[2-methylsulfonylphenyl]-1-piperidinyl]butyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide

HCID 22452689

Notes Reactions

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Basic information

Standard SMILES: CN(CC(CCN1CCC(c2ccccc2S(C)(=O)=O)CC1)c1ccc(F)c(F)c1)C(=O)c1cccc2c1CCCC2
InChIKey: ZBHDPOLMXUSHON-UHFFFAOYSA-N
Molecular formula: C34H40F2N2O3S
Average molar mass: 594.8 g/mol

Names & identifiers

Preferred name: N-[2-(3,4-Difluorophenyl)-4-[4-[2-methylsulfonylphenyl]-1-piperidinyl]butyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide
IUPAC: N-[2-(3,4-difluorophenyl)-4-[4-(2-methylsulfonylphenyl)piperidin-1-yl]butyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Names & synonyms

SCHEMBL7678779ZBHDPOLMXUSHON-UHFFFAOYSA-NN-[2-(3,4-Difluorophenyl)-4-[4-[2-methylsulfonylphenyl]-1-piperidinyl]butyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide

Database identifiers

PubChem CID: 22452689

Properties

Computed structural properties

XLogP: 6.6
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 42
Formal charge: 0
Complexity: 982

Related reactions

2 records

New reaction record

HRID 118019As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2185911As productuspto-grants-2002_06

Compound notes

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