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

HCID 20143035
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Basic information

Standard SMILES
COc1ccc(C2(CCCCBr)Sc3ccccc3N(C)C2=O)cc1OC
InChIKey
UCMFRCQSZZKOHE-UHFFFAOYSA-N
Molecular formula
C21H24BrNO3S
Average molar mass
450.4 g/mol
Monoisotopic mass
449.06603

Names & identifiers

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

Names & synonyms

SCHEMBL9829359UCMFRCQSZZKOHE-UHFFFAOYSA-N2-(4-Bromobutyl)-3,4-dihydro-2-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-2H-1,4-benzothiazine

Database identifiers

PubChem CID
20143035

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
64.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
27

Related reactions

3 records
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Compound notes

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