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135529-19-0 | N-(4-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]sulfonyl}phenyl)acetamide
CAS No: 135529-19-0 Catalog No: AG003A3O MDL No:MFCD01172466
Product Description
Catalog Number:
AG003A3O
Chemical Name:
N-(4-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]sulfonyl}phenyl)acetamide
CAS Number:
135529-19-0
Molecular Formula:
C18H18N4O6S2
Molecular Weight:
450.4887
MDL Number:
MFCD01172466
IUPAC Name:
N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
InChI:
InChI=1S/C18H18N4O6S2/c1-12-11-18(20-28-12)22-30(26,27)17-9-5-15(6-10-17)21-29(24,25)16-7-3-14(4-8-16)19-13(2)23/h3-11,21H,1-2H3,(H,19,23)(H,20,22)
InChI Key:
SQPUFLYSLCMEPT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.067g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
450.484g/mol
Monoisotopic Mass:
450.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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