IUPAC Name :2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
InChI :InChI=1/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)
Std.InChI: InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)
InChIKey :PPWBRCCBKOWDNB-UHFFFAOYAN
Std.InChIKey: PPWBRCCBKOWDNB-UHFFFAOYSA-N
SMILES :COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)O)OC
Molar Refractivity :93.51 ± 0.5 cm3 (est)
Parachor :724.3 ± 8.0 cm3 (est)
Index of Refraction :1.641 ± 0.05
(est)
Surface Tension :60.9 ± 7.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :37.07 ± 0.5 10-24cm3 (est)