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18009-07-9 | 4(1H)-Quinazolinone, 6-bromo-2,3-dihydro-3-phenyl-2-thioxo-
CAS No: 18009-07-9 Catalog No: AG0021OP MDL No:MFCD00433659
Product Description
Catalog Number:
AG0021OP
Chemical Name:
4(1H)-Quinazolinone, 6-bromo-2,3-dihydro-3-phenyl-2-thioxo-
CAS Number:
18009-07-9
Molecular Formula:
C14H9BrN2OS
Molecular Weight:
333.2031
MDL Number:
MFCD00433659
IUPAC Name:
6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H9BrN2OS/c15-9-6-7-12-11(8-9)13(18)17(14(19)16-12)10-4-2-1-3-5-10/h1-8H,(H,16,19)
InChI Key:
VYQBHLQJGGBSDC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(c(=S)[nH]2)c1ccccc1
NSC Number:
639726
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.203g/mol
Monoisotopic Mass:
331.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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