1H-咪唑,5-[(4-亚甲基环己基)甲基]-

84936-78-7

MFCD01689743

C22 H29 N5 O2 . C4 H4 O4

511.576

InChI=1S/C22H29N5O2.C4H4O4/c1-26(2)22-23-13-19(21(25-22)29-3)20(28)24-16-11-17-9-10-18(12-16)27(17)14-15-7-5-4-6-8-15;5-3(6)1-2-4(7)8/h4-8,13,16-18H,9-12,14H2,1-3H3,(H,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,17-,18+;

InChIKey=MQKYGNMDUJLAPE-CVQJKXBESA-N

CN(C)c1ncc(c(n1)OC)C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc4ccccc4.C(=C\C(=O)O)\C(=O)O

pro_donors:1

pro_acceptors:7

XLogP3:3.0

Bulk/Fine:F