5-溴-1,3-苯二醇

106486-76-4

MFCD01712803

C31 H33 N3 O11

623.612

InChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12+,24-23-

InChIKey=QIKVYJOCQXXRSJ-ZTYBVADTSA-N

Cc1cccc2c1cc(cc2C(=O)OC(C(=O)N/C(=C\3/C(C(C4N3C4)O)OC(=O)C)/C(=O)N/C(=C/O)/C(=O)C)C5(CO5)C)OC

pro_donors:4

pro_acceptors:14

XLogP3:0.0

Bulk/Fine:F