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18009-15-9 | 4(1H)-Quinazolinone, 6-bromo-2,3-dihydro-3-methyl-2-thioxo-
CAS No: 18009-15-9 Catalog No: AG0021P7 MDL No:
Product Description
Catalog Number:
AG0021P7
Chemical Name:
4(1H)-Quinazolinone, 6-bromo-2,3-dihydro-3-methyl-2-thioxo-
CAS Number:
18009-15-9
Molecular Formula:
C9H7BrN2OS
Molecular Weight:
271.1337
IUPAC Name:
6-bromo-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C9H7BrN2OS/c1-12-8(13)6-4-5(10)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChI Key:
LQONJOHKJVJUMX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(c(=S)[nH]2)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.132g/mol
Monoisotopic Mass:
269.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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