2-(3,3-diethoxypropyl)-3,4-dihydro-2-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-2H-1,4-benzothiazine

HCID 20143034
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Basic information

Standard SMILES
CCOC(CCC1(c2ccc(OC)c(OC)c2)Sc2ccccc2N(C)C1=O)OCC
InChIKey
XRNBLBLNNHQSEX-UHFFFAOYSA-N
Molecular formula
C24H31NO5S
Average molar mass
445.6 g/mol

Names & identifiers

Preferred name
2-(3,3-diethoxypropyl)-3,4-dihydro-2-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-2H-1,4-benzothiazine
IUPAC
2-(3,3-diethoxypropyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one

Names & synonyms

SCHEMBL9830150XRNBLBLNNHQSEX-UHFFFAOYSA-N2-(3,3-diethoxypropyl)-3,4-dihydro-2-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-2H-1,4-benzothiazine

Database identifiers

PubChem CID
20143034

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
82.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
31

Related reactions

2 records
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Compound notes

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