9-FLUORO-2-(4-(2-DIMETHYLAMINOPROPOXY)PHENYL)-5,6-DIHYDROBENZO(H)CINNOLIN-3(2H)-ONE FUMARATE

123575-22-4

MFCD00888129

C23 H24 F N3 O2 . C4 H4 O4

509.531

InChI=1S/C23H24FN3O2.C4H4O4/c1-15(26(2)3)14-29-20-10-8-19(9-11-20)27-22(28)12-17-5-4-16-6-7-18(24)13-21(16)23(17)25-27;5-3(6)1-2-4(7)8/h6-13,15H,4-5,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey=BZPHKELBMUVEBR-WLHGVMLRSA-N

CC(COc1ccc(cc1)n2c(=O)cc3c(n2)-c4cc(ccc4CC3)F)N(C)C.C(=C/C(=O)O)\C(=O)O

氢键供体数量:0

氢键受体数量:5

XLogP3:5.0

Bulk/Fine:F