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20028-50-6 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-(diphenylmethyl)-
CAS No: 20028-50-6 Catalog No: AG002CNC MDL No:
Product Description
Catalog Number:
AG002CNC
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-(diphenylmethyl)-
CAS Number:
20028-50-6
Molecular Formula:
C16H12BrN3O2
Molecular Weight:
358.1894
IUPAC Name:
4-benzhydryl-6-bromo-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C16H12BrN3O2/c17-14-15(21)20(16(22)19-18-14)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,22)
InChI Key:
KLXVWRQFPFVOFF-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c(=O)n1C(c1ccccc1)c1ccccc1)Br
NSC Number:
107702
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.011g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.195g/mol
Monoisotopic Mass:
357.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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