2-Phenoxymethyl-1-(4-trifluoromethylsulfanyl-benzyl)-1H-indole-5-carboxylic acid

HCID 68465701
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Basic information

Standard SMILES
O=C(O)c1ccc2c(c1)cc(COc1ccccc1)n2Cc1ccc(SC(F)(F)F)cc1
InChIKey
DZJVLIPZNZUDJM-UHFFFAOYSA-N
Molecular formula
C24H18F3NO3S
Average molar mass
457.5 g/mol

Names & identifiers

Preferred name
2-Phenoxymethyl-1-(4-trifluoromethylsulfanyl-benzyl)-1H-indole-5-carboxylic acid
IUPAC
2-(phenoxymethyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]indole-5-carboxylic acid

Names & synonyms

2-Phenoxymethyl-1-(4-trifluoromethylsulfanyl-benzyl)-1H-indole-5-carboxylic acidSCHEMBL2982418

Database identifiers

PubChem CID
68465701

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
76.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

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