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Home > Indoles and Oxindole > 189822-88-6
189822-88-6 | 2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetohydrazide
CAS No: 189822-88-6 Catalog No: AG00J074 MDL No:MFCD00433829
Product Description
Catalog Number:
AG00J074
Chemical Name:
2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetohydrazide
CAS Number:
189822-88-6
Molecular Formula:
C11H10N6OS
Molecular Weight:
274.3017
MDL Number:
MFCD00433829
IUPAC Name:
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetohydrazide
InChI:
InChI=1S/C11H10N6OS/c12-15-8(18)5-19-11-14-10-9(16-17-11)6-3-1-2-4-7(6)13-10/h1-4H,5,12H2,(H,15,18)(H,13,14,17)
InChI Key:
SLDYNRWHWJWHAE-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.302g/mol
Monoisotopic Mass:
274.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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