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16760-49-9 | 4(1H)-Quinazolinone, 6,8-dibromo-2,3-dihydro-3-phenyl-2-thioxo-
CAS No: 16760-49-9 Catalog No: AG001XHP MDL No:
Product Description
Catalog Number:
AG001XHP
Chemical Name:
4(1H)-Quinazolinone, 6,8-dibromo-2,3-dihydro-3-phenyl-2-thioxo-
CAS Number:
16760-49-9
Molecular Formula:
C14H8Br2N2OS
Molecular Weight:
412.0991
IUPAC Name:
6,8-dibromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H8Br2N2OS/c15-8-6-10-12(11(16)7-8)17-14(20)18(13(10)19)9-4-2-1-3-5-9/h1-7H,(H,17,20)
InChI Key:
PXCFVKWCZXVTGE-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(=S)[nH]2)c1ccccc1
NSC Number:
639727
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.87g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.099g/mol
Monoisotopic Mass:
409.872g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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