Home Sulfos 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoic acid

3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoic acid

CAS No.:
801311-41-1
Catalog Number:
AG00G3MI
Molecular Formula:
C25H21N3O6S
Molecular Weight:
491.5157
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Product Description
Catalog Number:
AG00G3MI
Chemical Name:
3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoic acid
CAS Number:
801311-41-1
Molecular Formula:
C25H21N3O6S
Molecular Weight:
491.5157
MDL Number:
MFCD18207085
IUPAC Name:
3-[3-carbamoyl-4-(3-methoxyanilino)-8-methylquinolin-6-yl]sulfonylbenzoic acid
InChI:
InChI=1S/C25H21N3O6S/c1-14-9-19(35(32,33)18-8-3-5-15(10-18)25(30)31)12-20-22(14)27-13-21(24(26)29)23(20)28-16-6-4-7-17(11-16)34-2/h3-13H,1-2H3,(H2,26,29)(H,27,28)(H,30,31)
InChI Key:
SZZXZRJNNBZBOV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1c(cnc2c1cc(cc2C)S(=O)(=O)c1cccc(c1)C(=O)O)C(=O)N
Properties
Complexity:
877  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.115g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
491.518g/mol
Monoisotopic Mass:
491.115g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties