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89010-60-6 | Benzenesulfonamide, 2-[(1-benzoyl-2-oxopropyl)azo]-N-2-pyrimidinyl-
CAS No: 89010-60-6 Catalog No: AG0044N2 MDL No:
Product Description
Catalog Number:
AG0044N2
Chemical Name:
Benzenesulfonamide, 2-[(1-benzoyl-2-oxopropyl)azo]-N-2-pyrimidinyl-
CAS Number:
89010-60-6
Molecular Formula:
C20H17N5O4S
Molecular Weight:
423.4451
IUPAC Name:
2-[(1,3-dioxo-1-phenylbutan-2-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C20H17N5O4S/c1-14(26)18(19(27)15-8-3-2-4-9-15)24-23-16-10-5-6-11-17(16)30(28,29)25-20-21-12-7-13-22-20/h2-13,18H,1H3,(H,21,22,25)
InChI Key:
AOHBROOGCODJRW-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccccc1S(=O)(=O)Nc1ncccn1
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.1g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.447g/mol
Monoisotopic Mass:
423.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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