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13010-46-3 | Benzoic acid, 2-[[[4-[[(6-methoxy-3-pyridazinyl)amino]sulfonyl]phenyl]amino]carbonyl]-
CAS No: 13010-46-3 Catalog No: AG000U0U MDL No:
Product Description
Catalog Number:
AG000U0U
Chemical Name:
Benzoic acid, 2-[[[4-[[(6-methoxy-3-pyridazinyl)amino]sulfonyl]phenyl]amino]carbonyl]-
CAS Number:
13010-46-3
Molecular Formula:
C19H16N4O6S
Molecular Weight:
428.4185
IUPAC Name:
2-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C19H16N4O6S/c1-29-17-11-10-16(21-22-17)23-30(27,28)13-8-6-12(7-9-13)20-18(24)14-4-2-3-5-15(14)19(25)26/h2-11H,1H3,(H,20,24)(H,21,23)(H,25,26)
InChI Key:
WWQJMQMALOQQBJ-UHFFFAOYSA-N
SMILES:
COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)O
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.079g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
428.419g/mol
Monoisotopic Mass:
428.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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