1-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl}ethanone

HCID 69200065
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Basic information

Standard SMILES
CC(=O)c1ccc(Oc2ccc3c(c2)S(=O)(=O)NC2CCCN32)cc1
InChIKey
PPBUXPJVDXRFMO-UHFFFAOYSA-N
Molecular formula
C18H18N2O4S
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
1-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl}ethanone
IUPAC
1-[4-[(5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl]ethanone

Names & synonyms

SCHEMBL4810196PPBUXPJVDXRFMO-UHFFFAOYSA-N1-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl}ethanone

Database identifiers

PubChem CID
69200065

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

3 records
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Linked notes

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