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27845-20-1 | Benzimidazo[2',1':2,3]thiazolo[4,5-b]quinoxaline
CAS No: 27845-20-1 Catalog No: AG002UWI MDL No:
Product Description
Catalog Number:
AG002UWI
Chemical Name:
Benzimidazo[2',1':2,3]thiazolo[4,5-b]quinoxaline
CAS Number:
27845-20-1
Molecular Formula:
C15H8N4S
Molecular Weight:
276.3158
IUPAC Name:
11-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,9,12,14,16,18-nonaene
InChI:
InChI=1S/C15H8N4S/c1-2-6-10-9(5-1)16-13-14(17-10)20-15-18-11-7-3-4-8-12(11)19(13)15/h1-8H
InChI Key:
NRAPIYWXSRMKRF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc1c(n2)n2c(s1)nc1c2cccc1
NSC Number:
666304
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.317g/mol
Monoisotopic Mass:
276.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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