IUPAC Name :methyl(4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
InChI :InChI=1/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
Std.InChI: InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
InChIKey :VBCVPMMZEGZULK-NRFANRHFBE
Std.InChIKey: VBCVPMMZEGZULK-NRFANRHFSA-N
SMILES :FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N3/N=C4/c2c(cc(Cl)cc2)C[C@@]4(OC3)C(=O)OC
Molar Refractivity :117.72 ± 0.5 cm3 (est)
Parachor :910.3 ± 8.0 cm3 (est)
Index of Refraction :1.601 ± 0.05
(est)
Surface Tension :49.4 ± 7.0 dyne/cm (est)
Density :1.53 ± 0.1 g/cm3 (est)
Polarizability :46.67 ± 0.5 10-24cm3 (est)