TIMTEC-BB SBB059396

pro_cas
pro_cdbregno
CCD08240848
pro_formula
C31 H27 N3 . Cl H O4
pro_molWeight
542.032

basic_info

Product_Name: TIMTEC-BB SBB059396
EnglishSynonyms: TIMTEC-BB SBB059396
pro_mdlNumber: MFCD11225150
pro_acceptors: 3
pro_donors: 1
pro_smile: c1ccc(cc1)N/C=C/2\CCC(=C2N(c3ccccc3)c4ccccc4)/C=N/c5ccccc5.OCl(=O)(=O)=O
InChi: InChI=1S/C31H27N3.ClHO4/c1-5-13-27(14-6-1)32-23-25-21-22-26(24-33-28-15-7-2-8-16-28)31(25)34(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2-1(3,4)5/h1-20,23-24,32H,21-22H2;(H,2,3,4,5)/b25-23+,33-24+;
InChiKey: InChIKey=NNOZGWLPEJYZMZ-KNQZNKRJSA-N

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