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560998-19-8 | N,N-dimethyl-3-sulfanyl-7-oxa-2,4,5-triazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-11-sulfonamide
CAS No: 560998-19-8 Catalog No: AG019IE8 MDL No:MFCD04608666
Product Description
Catalog Number:
AG019IE8
Chemical Name:
N,N-dimethyl-3-sulfanyl-7-oxa-2,4,5-triazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-11-sulfonamide
CAS Number:
560998-19-8
Molecular Formula:
C10H10N4O3S2
Molecular Weight:
298.3414
MDL Number:
MFCD04608666
IUPAC Name:
N,N-dimethyl-1-sulfanylidene-2H-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide
InChI:
InChI=1S/C10H10N4O3S2/c1-13(2)19(15,16)6-3-4-8-7(5-6)14-9(17-8)11-12-10(14)18/h3-5H,1-2H3,(H,12,18)
InChI Key:
GJFBFIDDMMRYFB-UHFFFAOYSA-N
SMILES:
Sc1nnc2n1c1cc(ccc1o2)S(=O)(=O)N(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.335g/mol
Monoisotopic Mass:
298.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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