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Home > Fluorides > 337354-97-9
337354-97-9 | N-Phenyl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 337354-97-9 Catalog No: AG01F630 MDL No:
Product Description
Catalog Number:
AG01F630
Chemical Name:
N-Phenyl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
337354-97-9
Molecular Formula:
C17H13N5OS
Molecular Weight:
335.3830
IUPAC Name:
N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C17H13N5OS/c23-14(18-11-6-2-1-3-7-11)10-24-17-20-16-15(21-22-17)12-8-4-5-9-13(12)19-16/h1-9H,10H2,(H,18,23)(H,19,20,22)
InChI Key:
PAKGEFSXOKPBSS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.385g/mol
Monoisotopic Mass:
335.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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