5-PYRIMIDINECARBOXAMIDE, 2-AMINO-N-(8-(P-FLUOROBENZYL)-3-BETA-NORTROPA NYL)-4-METHOXY-, MONOMALEATE

84923-18-2

MFCD01689793

C20 H24 F N5 O2 . C4 H4 O4

501.512

InChI=1S/C20H24FN5O2.C4H4O4/c1-28-19-17(10-23-20(22)25-19)18(27)24-14-8-15-6-7-16(9-14)26(15)11-12-2-4-13(21)5-3-12;5-3(6)1-2-4(7)8/h2-5,10,14-16H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-,16+;

InChIKey=LSCJPXVIIWUTFS-IFWGJGGSSA-N

COc1c(cnc(n1)N)C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccc(cc4)F.C(=C\C(=O)O)\C(=O)O

H bond donor:2

H bond acceptor:7

XLogP3:2.0

Bulk/Fine:F