IUPAC Name :2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
InChI :InChI=1/C14H12F3N5O7S/c1-28-8-5-9(29-2)20-12(19-8)21-13(25)22-30(26,27)10-6(11(23)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,23,24)(H2,19,20,21,22,25)
Std.InChI: InChI=1S/C14H12F3N5O7S/c1-28-8-5-9(29-2)20-12(19-8)21-13(25)22-30(26,27)10-6(11(23)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,23,24)(H2,19,20,21,22,25)
InChIKey :HCNBYBFTNHEQQJ-UHFFFAOYAQ
Std.InChIKey: HCNBYBFTNHEQQJ-UHFFFAOYSA-N
SMILES :COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2c(ccc(n2)C(F)(F)F)C(=O)O)OC
Molar Refractivity :92.10 ± 0.5 cm3 (est)
Parachor :720.9 ± 8.0 cm3 (est)
Index of Refraction :1.621 ± 0.05
(est)
Surface Tension :57.5 ± 7.0 dyne/cm (est)
Density :1.72 ± 0.1 g/cm3 (est)
Polarizability :36.51 ± 0.5 10-24cm3 (est)