tert-Butyl 6-[[4-oxo-2-(2-pyridyl)-4H-1,3-benzothiazin-6-yl]oxy]hexanoate

HCID 68459181

Basic information

Standard SMILES
CC(C)(C)OC(=O)CCCCCOc1ccc2sc(-c3ccccn3)nc(=O)c2c1
InChIKey
RZSYEMCRMLPPCV-UHFFFAOYSA-N
Molecular formula
C23H26N2O4S
Average molar mass
426.5 g/mol
Monoisotopic mass
426.16132849

Names & identifiers

Preferred name
tert-Butyl 6-[[4-oxo-2-(2-pyridyl)-4H-1,3-benzothiazin-6-yl]oxy]hexanoate
IUPAC
tert-butyl 6-[(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-6-yl)oxy]hexanoate

Names & synonyms

SCHEMBL2964081RZSYEMCRMLPPCV-UHFFFAOYSA-Ntert-Butyl 6-[[4-oxo-2-(2-pyridyl)-4H-1,3-benzothiazin-6-yl]oxy]hexano atetert-Butyl 6-[[4-oxo-2-(2-pyridyl)-4H-1,3-benzothiazin-6-yl]oxy]hexanoate

Database identifiers

PubChem CID
68459181

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
30

Related reactions

6 records

Compound notes

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