7-BENZYL-8-(2-N,N-DI-N-BUTYLAMINOETHYL)AMINOTHEOPHYLLINE HYDROMALEATE

130187-62-1

MFCD01694352

C24 H36 N6 O2 . C4 H4 O4

556.66

InChI=1S/C24H36N6O2.C4H4O4/c1-5-7-15-29(16-8-6-2)17-14-25-23-26-21-20(22(31)28(4)24(32)27(21)3)30(23)18-19-12-10-9-11-13-19;5-3(6)1-2-4(7)8/h9-13H,5-8,14-18H2,1-4H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey=OHKJMYCLEVMQKJ-BTJKTKAUSA-N

CCCCN(CCCC)CCNc1nc2c(n1Cc3ccccc3)c(=O)n(c(=O)n2C)C.C(=C\C(=O)O)\C(=O)O

pro_donors:1

pro_acceptors:8

XLogP3:4.0

Bulk/Fine:F