1,2-苯并噻唑-3(2H)-酮 1,1-二氧化 - (1S,2R)-2-(二甲氨基)-1-苯基丙烷-1-醇 (1:1)

74839-81-9

MFCD00889191

C33 H39 N7 O5 S2

677.847

InChI=1S/C33H39N7O5S2/c1-5-17(2)25-32-37-22(16-47-32)27(41)34-18(3)31-36-23(15-46-31)28(42)35-21(14-20-10-7-6-8-11-20)33(44)40-13-9-12-24(40)30-39-26(19(4)45-30)29(43)38-25/h6-8,10-11,15-19,21,24-26H,5,9,12-14H2,1-4H3,(H,34,41)(H,35,42)(H,38,43)/t17?,18-,19-,21+,24+,25+,26+/m1/s1

InChIKey=QMJCCXDXQJABCW-CZXLIBETSA-N

CCC(C)[C@H]1c2nc(cs2)C(=O)N[C@@H](c3nc(cs3)C(=O)N[C@H](C(=O)N4CCC[C@H]4C5=N[C@@H]([C@H](O5)C)C(=O)N1)Cc6ccccc6)C

pro_donors:3

pro_acceptors:12

XLogP3:4.0

Bulk/Fine:F