3-{2-[N-(propoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl)-[1,3]-oxazinan-2-one

HCID 67458997
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Basic information

Standard SMILES
CCCOC(=O)N(c1ccccc1CN1CCCOC1=O)S(=O)(=O)C(F)(F)F
InChIKey
NVXFZXZQKRFNQU-UHFFFAOYSA-N
Molecular formula
C16H19F3N2O6S
Average molar mass
424.4 g/mol

Names & identifiers

Preferred name
3-{2-[N-(propoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl)-[1,3]-oxazinan-2-one
IUPAC
propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate

Names & synonyms

3-{2-[N-(propoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl)-[1,3]-oxazinan-2-oneSCHEMBL2576132

Database identifiers

PubChem CID
67458997

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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