2,7-Dimethyl-4-hydroxy-N-(3-hydroxy-2pyridyl)-2H-[1]-benzothieno-[2,3-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

HCID 70579082

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc2c3c(sc2c1)C(O)=C(C(=O)Nc1ncccc1O)N(C)S3(=O)=O
InChIKey: GBKMRHJFXVYZNI-UHFFFAOYSA-N
Molecular formula: C18H15N3O5S2
Average molar mass: 417.5 g/mol

Names & identifiers

Preferred name: 2,7-Dimethyl-4-hydroxy-N-(3-hydroxy-2pyridyl)-2H-[1]-benzothieno-[2,3-e]-1,2-thiazine-3-carboxamide-1,1-dioxide
IUPAC: 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2,7-dimethyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide

Names & synonyms

SCHEMBL11399719GBKMRHJFXVYZNI-UHFFFAOYSA-N2,7-Dimethyl-4-hydroxy-N-(3-hydroxy-2pyridyl)-2H-[1]-benzothieno-[2,3-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

Database identifiers

PubChem CID: 70579082

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 156 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 781

Related reactions

2 records

New reaction record

HRID 128286As productuspto-grants-1981_03

HRID 800159As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…