Name: Name:5-thia-1,7-diazatricyclo[6.4.0.0,2,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid
Brand: Angene
SKU: AG019JXT
Rating: 90 (10 reviews)

5-thia-1,7-diazatricyclo[6.4.0.0,2,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid

CAS No.:

855715-35-4

Catalog Number:

AG019JXT

Molecular Formula:

C10H6N2O2S

Molecular Weight:

218.2318

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Product Description

Catalog Number:

AG019JXT

Chemical Name:

5-thia-1,7-diazatricyclo[6.4.0.0,2,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid

CAS Number:

855715-35-4

Molecular Formula:

C10H6N2O2S

Molecular Weight:

218.2318

MDL Number:

MFCD06660502

IUPAC Name:

5-thia-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid

InChI:

InChI=1S/C10H6N2O2S/c13-10(14)7-5-6-9(15-7)11-8-3-1-2-4-12(6)8/h1-5H,(H,13,14)

InChI Key:

DZJHCXAWQGHBST-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc2c(c1)n1c(n2)cccc1

Properties

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.23g/mol

Monoisotopic Mass:

218.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

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