1-(3-SULFO-4-PHENOXY-PHENYL)-3-OCTADECANAMIDO-4-[(4-TOLYSULFONAMIDO)-PHENYLAZO]-5-PYRAZOLINE-5-ONE

55695-83-5

MFCD00142538

C46 H58 N6 O8 S2

887.13

InChI=1S/C46H58N6O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-43(53)47-45-44(49-48-36-26-28-37(29-27-36)51-61(55,56)40-31-24-35(2)25-32-40)46(54)52(50-45)38-30-33-41(42(34-38)62(57,58)59)60-39-21-18-17-19-22-39/h17-19,21-22,24-34,44,51H,3-16,20,23H2,1-2H3,(H,47,50,53)(H,57,58,59)/b49-48+

InChIKey=IDHHQYWZTKHXQT-DSIMXMMZSA-N

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1/N=N/c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)C)c4ccc(c(c4)S(=O)(=O)O)Oc5ccccc5

H bond donor:3

H bond acceptor:14

XLogP3:9.0

Bulk/Fine:F