"ALOGPS" . "14.39" . "0" . "C12H14N2O3S" . "-1.2" . "C16H16N4O3S" . "-3.5" . "InChIKey=RFPHEBUOQYYPDO-UHFFFAOYSA-N" . "2" . "1.19" . "1.37e+01 g/l" . "InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1" . "47" . "5" . "-0.44" . "8" . "-1.4" . "4" . "C24H30NO" . "ChemAxon" .