2-(4-(2-((Benzyloxy)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol

HCID 66582575
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Basic information

Standard SMILES
CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2COCc2ccccc2)cc1)C(F)(F)F
InChIKey
ONNMZDRCBKFRLC-UHFFFAOYSA-N
Molecular formula
C25H27F3N2O4S2
Average molar mass
540.6 g/mol
Monoisotopic mass
540.13643418

Names & identifiers

Preferred name
2-(4-(2-((Benzyloxy)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol
IUPAC
1,1,1-trifluoro-2-[4-[2-(phenylmethoxymethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

Names & synonyms

2-(4-(2-((benzyloxy)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanolSCHEMBL16999

Database identifiers

PubChem CID
66582575

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
36

Related reactions

10 records
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Compound notes

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