1-(2,4,6-三氯苯基)-3-(5-十四酰胺基-2-氯苯胺基)-4-[2-[alpha-(2,4-二特戊基苯氧基)丁酰胺基]苯硫基]-5-吡唑酮

pro_cas
150779-67-2
pro_cdbregno
CCD00738098
pro_formula
C55 H71 Cl4 N5 O4 S
pro_molWeight
1040.07

basic_info

Product_Name: 1-(2,4,6-三氯苯基)-3-(5-十四酰胺基-2-氯苯胺基)-4-[2-[alpha-(2,4-二特戊基苯氧基)丁酰胺基]苯硫基]-5-吡唑酮
CAS: 150779-67-2
中文同义词: 1-(2,4,6-三氯苯基)-3-(5-十四酰胺基-2-氯苯胺基)-4-[2-[alpha-(2,4-二特戊基苯氧基)丁酰胺基]苯硫基]-5-吡唑酮 ; 1-(2,4,6-三氯苯基)-3-(5-十四酰胺基-2-氯苯胺基)-4-[2-[alpha-(2,4-二特戊基苯氧基)丁酰胺基]苯硫基]-5-吡唑酮
EnglishSynonyms: 1-(2,4,6-TRICHLOROPHENYL)-3-(5-TETRADECANAMIDO-2-CHLOROANILINO)-4-[2-[ALPHA-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRAMIDO]PHENYLTHIO]-5-PYRAZOLONE ; 1-(2,4,6-TRICHLOROPHENYL)-3-(5-TETRADECAN AMIDO-2-CHLOROANILINO)-4-(2-[A-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRAMIDO]PHENYL THIO)-5-PYRAZOLONE
pro_mdlNumber: MFCD09263713
pro_acceptors: 9
pro_donors: 3
pro_smile: CCCCCCCCCCCCCC(=O)Nc1ccc(c(c1)NC2=NN(C(=O)C2Sc3ccccc3NC(=O)C(CC)Oc4ccc(cc4C(C)(C)CC)C(C)(C)CC)c5c(cc(cc5Cl)Cl)Cl)Cl
InChi: InChI=1S/C55H71Cl4N5O4S/c1-9-13-14-15-16-17-18-19-20-21-22-27-48(65)60-38-29-30-40(57)44(35-38)61-51-50(53(67)64(63-51)49-41(58)33-37(56)34-42(49)59)69-47-26-24-23-25-43(47)62-52(66)45(10-2)68-46-31-28-36(54(5,6)11-3)32-39(46)55(7,8)12-4/h23-26,28-35,45,50H,9-22,27H2,1-8H3,(H,60,65)(H,61,63)(H,62,66)
InChiKey: InChIKey=XJCRAIGPEKPMRD-UHFFFAOYSA-N

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