Home Sulfos Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-, methyl ester

Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-, methyl ester

CAS No.:
101200-48-0
Catalog Number:
AG0003YL
Molecular Formula:
C15H17N5O6S
Molecular Weight:
395.3904
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(HPLC)
In Stock USA
United States
$107
- +
1g
98%(HPLC)
In Stock USA
United States
$499
- +
Product Description
Catalog Number:
AG0003YL
Chemical Name:
Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
101200-48-0
Molecular Formula:
C15H17N5O6S
Molecular Weight:
395.3904
MDL Number:
MFCD03955329
IUPAC Name:
methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
InChI:
InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
InChI Key:
VLCQZHSMCYCDJL-UHFFFAOYSA-N
SMILES:
COc1nc(CNC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(n1)C
UNII:
D0493A985P
RTECS Number:
DH3565000
Properties
Complexity:
639  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.09g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
395.39g/mol
Monoisotopic Mass:
395.09g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
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Properties