GLUCOSONE BIS-4-(3-NITRO-4-METHOXYBENZYL)THIOSEMICARBAZONE

122276-81-7

MFCD01765864

C24 H30 N8 O10 S2

654.679

InChI=1S/C24H30N8O10S2/c1-41-19-5-3-13(7-16(19)31(37)38)9-25-23(43)29-27-11-15(21(35)22(36)18(34)12-33)28-30-24(44)26-10-14-4-6-20(42-2)17(8-14)32(39)40/h3-8,11,18,21-22,33-36H,9-10,12H2,1-2H3,(H2,25,29,43)(H2,26,30,44)/b27-11+,28-15+/t18-,21-,22-/m1/s1

InChIKey=ULYYDOQZTONMID-MXJAWJOFSA-N

COc1ccc(cc1[N+](=O)[O-])CNC(=S)N/N=C/C(=N\NC(=S)NCc2ccc(c(c2)[N+](=O)[O-])OC)/[C@H]([C@@H]([C@@H](CO)O)O)O

pro_donors:8

pro_acceptors:18

XLogP3:0.0

Bulk/Fine:F