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18009-16-0 | 4(1H)-Quinazolinone, 6-bromo-3-ethyl-2,3-dihydro-2-thioxo-
CAS No: 18009-16-0 Catalog No: AG0021P6 MDL No:MFCD04632063
Product Description
Catalog Number:
AG0021P6
Chemical Name:
4(1H)-Quinazolinone, 6-bromo-3-ethyl-2,3-dihydro-2-thioxo-
CAS Number:
18009-16-0
Molecular Formula:
C10H9BrN2OS
Molecular Weight:
285.1603
MDL Number:
MFCD04632063
IUPAC Name:
6-bromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C10H9BrN2OS/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5H,2H2,1H3,(H,12,15)
InChI Key:
MSSNKLURCHWRIM-UHFFFAOYSA-N
SMILES:
CCn1c(=S)[nH]c2c(c1=O)cc(cc2)Br
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.962g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.159g/mol
Monoisotopic Mass:
283.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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