Trifluoro-methanesulfonic acid 2-hydroxy-3-(3-morpholin-4-yl-3-oxo-propionyl)-phenyl ester

HCID 11610960
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Basic information

Standard SMILES
O=C(CC(=O)N1CCOCC1)c1cccc(OS(=O)(=O)C(F)(F)F)c1O
InChIKey
NLYYBHFMYLPGNO-UHFFFAOYSA-N
Molecular formula
C14H14F3NO7S
Average molar mass
397.33 g/mol
Monoisotopic mass
397.04430745

Names & identifiers

Preferred name
Trifluoro-methanesulfonic acid 2-hydroxy-3-(3-morpholin-4-yl-3-oxo-propionyl)-phenyl ester
IUPAC
[2-hydroxy-3-(3-morpholin-4-yl-3-oxopropanoyl)phenyl] trifluoromethanesulfonate

Names & synonyms

trifluoro-methanesulfonic acid 2-hydroxy-3-(3-morpholin-4-yl-3-oxo-propionyl)-phenyl esterSCHEMBL437913SCHEMBL32670719

Database identifiers

PubChem CID
11610960

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
119 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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