Name: Name:2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl)acetic acid
Brand: Angene
SKU: AG019K2N
Rating: 90 (10 reviews)

2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl)acetic acid

CAS No.:

857041-85-1

Catalog Number:

AG019K2N

Molecular Formula:

C12H9NO4S

Molecular Weight:

263.2692

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Product Description

Catalog Number:

AG019K2N

Chemical Name:

2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl)acetic acid

CAS Number:

857041-85-1

Molecular Formula:

C12H9NO4S

Molecular Weight:

263.2692

MDL Number:

MFCD05625721

IUPAC Name:

2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetic acid

InChI:

InChI=1S/C12H9NO4S/c14-11(15)7-13-9-5-1-3-8-4-2-6-10(12(8)9)18(13,16)17/h1-6H,7H2,(H,14,15)

InChI Key:

BUHOBZOVOOSPQE-UHFFFAOYSA-N

SMILES:

OC(=O)CN1c2cccc3c2c(S1(=O)=O)ccc3

Properties

Complexity:

455

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.267g/mol

Monoisotopic Mass:

263.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501