4-[[4-(4-Chlorophenoxy)phenyl]sulfanylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

HCID 21224331
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CSc2ccc(Oc3ccc(Cl)cc3)cc2)(C(=O)O)CC1
InChIKey
CJRWKEDHUQJCMY-UHFFFAOYSA-N
Molecular formula
C24H28ClNO5S
Average molar mass
478 g/mol
Monoisotopic mass
477.1376719

Names & identifiers

Preferred name
4-[[4-(4-Chlorophenoxy)phenyl]sulfanylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
IUPAC
4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Names & synonyms

SCHEMBL7302297

Database identifiers

PubChem CID
21224331

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

Related reactions

1 records
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Compound notes

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