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93620-60-1 | N-(5,6-DIMETHOXY-PYRIMIDIN-4-YL)-4-(3,3-DIMETHYL-1-TRIAZENYL)BENZENESULFONAMIDE
CAS No: 93620-60-1 Catalog No: AG0061XA MDL No:
Product Description
Catalog Number:
AG0061XA
Chemical Name:
N-(5,6-DIMETHOXY-PYRIMIDIN-4-YL)-4-(3,3-DIMETHYL-1-TRIAZENYL)BENZENESULFONAMIDE
CAS Number:
93620-60-1
Molecular Formula:
C14H18N6O4S
Molecular Weight:
366.3955
IUPAC Name:
N-(5,6-dimethoxypyrimidin-4-yl)-4-(dimethylaminodiazenyl)benzenesulfonamide
InChI:
InChI=1S/C14H18N6O4S/c1-20(2)19-17-10-5-7-11(8-6-10)25(21,22)18-13-12(23-3)14(24-4)16-9-15-13/h5-9H,1-4H3,(H,15,16,18)
InChI Key:
UWMROBBBHLRJKF-UHFFFAOYSA-N
SMILES:
COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N=NN(C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.396g/mol
Monoisotopic Mass:
366.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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