ORVEPITANT MALEATE

579475-24-4

MFCD20926416

C31 H35 F7 N4 O2 . C4 H4 O4

744.701

InChI=1S/C31H35F7N4O2.C4H4O4/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38;5-3(6)1-2-4(7)8/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24+,25+,27-;/m1./s1

InChIKey=IPACOHTZCSBGBV-WUXDIRCFSA-N

Cc1cc(ccc1[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O)F.C(=C\C(=O)O)\C(=O)O

H bond donor:0

H bond acceptor:6

XLogP3:6.0

Bulk/Fine:F