IR-132

51010-97-0

MFCD00051378

C53 H48 N3 O4 S2 . Cl O4

954.56

InChI=1S/C53H48N3O4S2.ClHO4/c1-59-51(57)23-13-31-54-45-33-39-15-9-11-17-41(39)35-47(45)61-49(54)29-27-37-25-26-38(53(37)56(43-19-5-3-6-20-43)44-21-7-4-8-22-44)28-30-50-55(32-14-24-52(58)60-2)46-34-40-16-10-12-18-42(40)36-48(46)62-50;2-1(3,4)5/h3-12,15-22,27-30,33-36H,13-14,23-26,31-32H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

InChIKey=LUJHNAMCGIFCOY-UHFFFAOYSA-M

COC(=O)CCC[n+]1c2cc3ccccc3cc2sc1/C=C/C4=C(/C(=C/C=C/5\N(c6cc7ccccc7cc6S5)CCCC(=O)OC)/CC4)N(c8ccccc8)c9ccccc9.[O-]Cl(=O)(=O)=O

pro_donors:0

pro_acceptors:7

XLogP3:12.0

Bulk/Fine:F