乙基 3-[(6-{[乙氧基(羰基)乙酰基]氨基}嘧啶-4-基)硫烷基]丙酸酯

75139-06-9

MFCD00867474

C35 H54 O8

602.804

InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36-37H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33+,34-/m1/s1

InChIKey=BJUFZCRLMQPLMO-RHKPWOOXSA-N

C[C@@H]1CCC[C@@H]([C@H]1[C@H](C)C(=O)C2=C(COC2=O)O)/C=C(\CO)/[C@H]3[C@@H](CC[C@H](O3)/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)C

pro_donors:2

pro_acceptors:8

XLogP3:5.0

Bulk/Fine:F