1-[4-(4-Cyclohexyl-3-trifluoromethyl-benzylsulfanyl)-benzyl]-azetidine-3-carboxylic acid

HCID 22057731
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Basic information

Standard SMILES
O=C(O)C1CN(Cc2ccc(SCc3ccc(C4CCCCC4)c(C(F)(F)F)c3)cc2)C1
InChIKey
MDVNOEPSCAXQEL-UHFFFAOYSA-N
Molecular formula
C25H28F3NO2S
Average molar mass
463.6 g/mol

Names & identifiers

Preferred name
1-[4-(4-Cyclohexyl-3-trifluoromethyl-benzylsulfanyl)-benzyl]-azetidine-3-carboxylic acid
IUPAC
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methyl]azetidine-3-carboxylic acid

Names & synonyms

1-[4-(4-cyclohexyl-3-trifluoromethyl-benzylsulfanyl)-benzyl]-azetidine-3-carboxylic acidSCHEMBL4663132

Database identifiers

PubChem CID
22057731

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
65.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

1 records
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Compound notes

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