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1000573-10-3 | 5,7-Dichlorothiazolo[4,5-d]pyrimidin-2-sulfonic acid (4-bromo-3-methylphenyl)amide
CAS No: 1000573-10-3 Catalog No: AG01F3MK MDL No:
Product Description
Catalog Number:
AG01F3MK
Chemical Name:
5,7-Dichlorothiazolo[4,5-d]pyrimidin-2-sulfonic acid (4-bromo-3-methylphenyl)amide
CAS Number:
1000573-10-3
Molecular Formula:
C12H7BrCl2N4O2S2
Molecular Weight:
454.1496
IUPAC Name:
N-(4-bromo-3-methylphenyl)-5,7-dichloro-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide
InChI:
InChI=1S/C12H7BrCl2N4O2S2/c1-5-4-6(2-3-7(5)13)19-23(20,21)12-18-10-8(22-12)9(14)16-11(15)17-10/h2-4,19H,1H3
InChI Key:
JXXQAKANEGCXAG-UHFFFAOYSA-N
SMILES:
Clc1nc2nc(sc2c(n1)Cl)S(=O)(=O)Nc1ccc(c(c1)C)Br
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.857g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.138g/mol
Monoisotopic Mass:
451.857g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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