200,000+ products from a single source!
sales@angenechem.com
115714-03-9 | Benzoic acid, 2-[[[[(6-chloro-3,4-dihydro-4-methyl-3-oxo-2-pyrazinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS No: 115714-03-9 Catalog No: AG000GSW MDL No:
Product Description
Catalog Number:
AG000GSW
Chemical Name:
Benzoic acid, 2-[[[[(6-chloro-3,4-dihydro-4-methyl-3-oxo-2-pyrazinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
115714-03-9
Molecular Formula:
C14H13ClN4O6S
Molecular Weight:
400.7942
IUPAC Name:
methyl 2-[(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate
InChI:
InChI=1S/C14H13ClN4O6S/c1-19-7-10(15)16-11(12(19)20)17-14(22)18-26(23,24)9-6-4-3-5-8(9)13(21)25-2/h3-7H,1-2H3,(H2,16,17,18,22)
InChI Key:
KODHGHOYQDJVMF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cn(c1=O)C
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.024g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.79g/mol
Monoisotopic Mass:
400.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.