3-[3-(4-甲基苯基)-1,2,4-噁二唑-5-基]丙酸酯

339091-08-6

MFCD10566687

C31 H22 Cl2 N4 O7

633.442

InChI=1S/C31H22Cl2N4O7/c32-25-22-26(36-31(33)35-25)37(17-34-22)27-24(44-30(40)20-14-8-3-9-15-20)23(43-29(39)19-12-6-2-7-13-19)21(42-27)16-41-28(38)18-10-4-1-5-11-18/h1-15,17,21,23-24,27H,16H2/t21-,23-,24-,27-/m0/s1

InChIKey=ZPGKWLKJXHFRJL-YQNORIIPSA-N

c1ccc(cc1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3nc(nc4Cl)Cl)OC(=O)c5ccccc5)OC(=O)c6ccccc6

pro_donors:0

pro_acceptors:11

XLogP3:5.0

Bulk/Fine:F