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3-[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole

HCID 13324099
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(C(CCCN2CCC(c3nsc4ccccc34)CC2)c2ccc(F)cc2)cc1
InChIKey
JTEDCBWRLZMDPO-UHFFFAOYSA-N
Molecular formula
C28H28F2N2S
Average molar mass
462.6 g/mol

Names & identifiers

Preferred name
3-[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole
IUPAC
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole

Names & synonyms

SCHEMBL11094512

Database identifiers

PubChem CID
13324099

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
44.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Formal charge
0
Complexity
560

Related reactions

1 records
New reaction record
HRID 1133334 reaction equation
HRID 1133334As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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