Home Sulfos Methyl 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoate

Methyl 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoate

CAS No.:
801311-24-0
Catalog Number:
AG00G3OZ
Molecular Formula:
C26H23N3O6S
Molecular Weight:
505.5423
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Product Description
Catalog Number:
AG00G3OZ
Chemical Name:
Methyl 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoate
CAS Number:
801311-24-0
Molecular Formula:
C26H23N3O6S
Molecular Weight:
505.5423
MDL Number:
MFCD18207084
IUPAC Name:
methyl 3-[3-carbamoyl-4-(3-methoxyanilino)-8-methylquinolin-6-yl]sulfonylbenzoate
InChI:
InChI=1S/C26H23N3O6S/c1-15-10-20(36(32,33)19-9-4-6-16(11-19)26(31)35-3)13-21-23(15)28-14-22(25(27)30)24(21)29-17-7-5-8-18(12-17)34-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
InChI Key:
ZHFCKLWUEYGSBM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1c(cnc2c1cc(cc2C)S(=O)(=O)c1cccc(c1)C(=O)OC)C(=O)N
Properties
Complexity:
893  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.131g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
505.545g/mol
Monoisotopic Mass:
505.131g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties