Name: Name:2,2-dioxo-3H,4H-2??-pyrido[2,1-c][1,2,4]thiadiazine-7-carboxylic acid
Brand: Angene
SKU: AG00IDLA
Rating: 90 (10 reviews)

2,2-dioxo-3H,4H-2??-pyrido[2,1-c][1,2,4]thiadiazine-7-carboxylic acid

CAS No.:

852296-86-7

Catalog Number:

AG00IDLA

Molecular Formula:

C8H8N2O4S

Molecular Weight:

228.2251

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Purity

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Product Description

Catalog Number:

AG00IDLA

Chemical Name:

2,2-dioxo-3H,4H-2??-pyrido[2,1-c][1,2,4]thiadiazine-7-carboxylic acid

CAS Number:

852296-86-7

Molecular Formula:

C8H8N2O4S

Molecular Weight:

228.2251

MDL Number:

MFCD06655374

IUPAC Name:

2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylic acid

InChI:

InChI=1S/C8H8N2O4S/c11-8(12)6-1-2-7-9-15(13,14)4-3-10(7)5-6/h1-2,5H,3-4H2,(H,11,12)

InChI Key:

OZWPMPRZFXTVMX-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2=NS(=O)(=O)CCn2c1

Properties

Complexity:

495

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.222g/mol

Monoisotopic Mass:

228.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101