SODIUM 3-(2-((Z,2E)-4-[1,3-DIBUTYL-4,6-DIOXO-2-THIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDENE]-2-BUTENYLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-PROPANESULFONATE

54444-09-6

MFCD06409919

C26 H32 N3 O5 S3 . Na

585.743

InChI=1S/C26H33N3O5S3.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)35)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)36-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-;

InChIKey=BGGGVFMWSAISNR-LTHRDKTGSA-M

CCCCN1C(=O)C(=C/C=C/C=C\2/N(c3ccccc3S2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]

pro_donors:0

pro_acceptors:8

XLogP3:4.0

Bulk/Fine:F