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78503-92-1 | N-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4-[[3-METHYL-5-OXO-1-(PYRIDINE-4-CARBONYL)-4H-PYRAZOL-4-YL]DIAZENYL]BENZENESULFONAMIDE
CAS No: 78503-92-1 Catalog No: AG005A1B MDL No:
Product Description
Catalog Number:
AG005A1B
Chemical Name:
N-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4-[[3-METHYL-5-OXO-1-(PYRIDINE-4-CARBONYL)-4H-PYRAZOL-4-YL]DIAZENYL]BENZENESULFONAMIDE
CAS Number:
78503-92-1
Molecular Formula:
C22H20N8O4S
Molecular Weight:
492.5104
IUPAC Name:
N-(4,6-dimethylpyrimidin-2-yl)-4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide
InChI:
InChI=1S/C22H20N8O4S/c1-13-12-14(2)25-22(24-13)29-35(33,34)18-6-4-17(5-7-18)26-27-19-15(3)28-30(21(19)32)20(31)16-8-10-23-11-9-16/h4-12,19H,1-3H3,(H,24,25,29)
InChI Key:
YWVNIDGLQZUIQQ-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)C(=O)c1ccncc1
NSC Number:
303761
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.133g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
492.514g/mol
Monoisotopic Mass:
492.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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