KADIL

16960-31-9

MFCD01694176

C20 H21 N O4 . C10 H14 N4 O5 S

641.698

InChI=1S/C20H21NO4.C10H14N4O5S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19/h5-8,10-12H,9H2,1-4H3;6H,3-5H2,1-2H3,(H,17,18,19)

InChIKey=SMKJPZGXRDEGNE-UHFFFAOYSA-N

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCS(=O)(=O)O.COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC

H bond donor:0

H bond acceptor:5

XLogP3:3.0

Bulk/Fine:F