3-[7-(benzyloxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-4-hydroxy-1-{[2-methylpropylidene]amino}quinolin-2(1H)-one

HCID 136358487
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Basic information

Standard SMILES
CC(C)C=Nn1c(=O)c(C2=NS(=O)(=O)c3cc(OCc4ccccc4)ccc3N2)c(O)c2ccccc21
InChIKey
OWRKNXJCVHWAQR-UHFFFAOYSA-N
Molecular formula
C27H24N4O5S
Average molar mass
516.6 g/mol
Monoisotopic mass
516.14674105

Names & identifiers

Preferred name
3-[7-(benzyloxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-4-hydroxy-1-{[2-methylpropylidene]amino}quinolin-2(1H)-one
IUPAC
3-(1,1-dioxo-7-phenylmethoxy-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(2-methylpropylideneamino)quinolin-2-one

Names & synonyms

SCHEMBL1523666OWRKNXJCVHWAQR-UHFFFAOYSA-N3-[7-(benzyloxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-4-hydroxy-1-{[2-methylpropylidene]amino}quinolin-2(1H)-one

Database identifiers

PubChem CID
136358487

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
129 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

Related reactions

1 records
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Compound notes

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