200,000+ products from a single source!
sales@angenechem.com
20028-49-3 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-(diphenylmethyl)-2-methyl-
CAS No: 20028-49-3 Catalog No: AG002CND MDL No:
Product Description
Catalog Number:
AG002CND
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-(diphenylmethyl)-2-methyl-
CAS Number:
20028-49-3
Molecular Formula:
C17H14BrN3O2
Molecular Weight:
372.2160
IUPAC Name:
4-benzhydryl-6-bromo-2-methyl-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C17H14BrN3O2/c1-20-17(23)21(16(22)15(18)19-20)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChI Key:
BMUAAGJRSZOPBV-UHFFFAOYSA-N
SMILES:
O=c1n(C)nc(c(=O)n1C(c1ccccc1)c1ccccc1)Br
NSC Number:
107703
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.027g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.222g/mol
Monoisotopic Mass:
371.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.