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102394-28-5 | Benzoic acid, 4-hydroxy-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS No: 102394-28-5 Catalog No: AG0007BP MDL No:
Product Description
Catalog Number:
AG0007BP
Chemical Name:
Benzoic acid, 4-hydroxy-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
102394-28-5
Molecular Formula:
C14H15N5O7S
Molecular Weight:
397.3632
IUPAC Name:
methyl 4-hydroxy-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
InChI:
InChI=1S/C14H15N5O7S/c1-7-15-12(18-14(16-7)26-3)17-13(22)19-27(23,24)10-6-8(20)4-5-9(10)11(21)25-2/h4-6,20H,1-3H3,(H2,15,16,17,18,19,22)
InChI Key:
YDQFJWNPRLHOFT-UHFFFAOYSA-N
SMILES:
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc(O)ccc1C(=O)OC
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.069g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.362g/mol
Monoisotopic Mass:
397.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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