CI 949

121530-58-3

MFCD01664623

C20 H20 N6 O3 . C6 H14 N4 O2

566.62

InChI=1S/C20H20N6O3.C6H14N4O2/c1-12(2)29-18-15-11-14(28-3)9-10-16(15)26(13-7-5-4-6-8-13)17(18)19(27)21-20-22-24-25-23-20;7-4(5(11)12)2-1-3-10-6(8)9/h4-12H,1-3H3,(H2,21,22,23,24,25,27);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

InChIKey=OHOCQQJBKBVAFF-VWMHFEHESA-N

CC(C)Oc1c2cc(ccc2n(c1C(=O)Nc3[nH]nnn3)c4ccccc4)OC.C(C[C@@H](C(=O)O)N)CNC(=N)N

H bond donor:2

H bond acceptor:9

XLogP3:3.0

Bulk/Fine:F