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

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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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.222g/mol
Monoisotopic Mass:
228.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties