BARIUM IONOPHORE I

96476-01-6

MFCD00213928

C40 H56 N2 O5

644.891

InChI=1S/C40H56N2O5/c43-39(41(31-17-5-1-6-18-31)32-19-7-2-8-20-32)29-45-35-25-13-15-27-37(35)47-38-28-16-14-26-36(38)46-30-40(44)42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h13-16,25-28,31-34H,1-12,17-24,29-30H2

InChIKey=SPJLINWMLSKBNV-UHFFFAOYSA-N

c1ccc(c(c1)OCC(=O)N(C2CCCCC2)C3CCCCC3)Oc4ccccc4OCC(=O)N(C5CCCCC5)C6CCCCC6

H bond donor:0

H bond acceptor:7

XLogP3:9.0

Bulk/Fine:F