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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 136397168Generated: November 2, 2026

4-Hydroxy-3-(7-hydroxy-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-1-methyl-1-propylnaphthalen-2(1h)-one

https://huagongshe.com/en/chemical/136397168

4-Hydroxy-3-(7-hydroxy-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-1-methyl-1-propylnaphthalen-2(1h)-one molecular structure

Identifiers & Physical Properties

Molecular formulaC21H20N2O5S
Average molar mass412.5 g/mol
Monoisotopic mass412.10929292 g/mol
SMILESCCCC1(C)C(=O)C(C2=NS(=O)(=O)c3cc(O)ccc3N2)=C(O)c2ccccc21
InChIKeyMBWFDEANWBQXOG-UHFFFAOYSA-N
PubChem CID136397168

Chemical & Physical Properties

XLogP3
Topological polar surface area124
Hydrogen bond donors3
Hydrogen bond acceptors6
Rotatable bonds3
Heavy atoms29
Formal charge0
Complexity859