5-Biphenyl-4-yl-2-ethoxy-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide

HCID 68359172
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Basic information

Standard SMILES
CCOC1=NS(=O)(=O)C(c2ccc(-c3ccccc3)cc2)C(C)(C)O1
InChIKey
ICASRAKMVPHBOG-UHFFFAOYSA-N
Molecular formula
C19H21NO4S
Average molar mass
359.4 g/mol

Names & identifiers

Preferred name
5-Biphenyl-4-yl-2-ethoxy-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide
IUPAC
2-ethoxy-6,6-dimethyl-5-(4-phenylphenyl)-5H-1,4,3-oxathiazine 4,4-dioxide

Names & synonyms

SCHEMBL12699868ICASRAKMVPHBOG-UHFFFAOYSA-N5-Biphenyl-4-yl-2-ethoxy-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide

Database identifiers

PubChem CID
68359172

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
73.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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