150779-67-2
1-(2,4,6-TRICHLOROPHENYL)-3-(5-TETRADECANAMIDO-2-CHLOROANILINO)-4-[2-[ALPHA-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRAMIDO]PHENYLTHIO]-5-PYRAZOLONE
Name
1-(2,4,6-TRICHLOROPHENYL)-3-(5-TETRADECANAMIDO-2-CHLOROANILINO)-4-[2-[ALPHA-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRAMIDO]PHENYLTHIO]-5-PYRAZOLONE
Formula
C55 H71 Cl4 N5 O4 S
MolWeight
1040.07
1Identification
【Name】
1-(2,4,6-TRICHLOROPHENYL)-3-(5-TETRADECANAMIDO-2-CHLOROANILINO)-4-[2-[ALPHA-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRAMIDO]PHENYLTHIO]-5-PYRAZOLONE
【CAS】
【MDL】
MFCD09263713
【English Synonyms】
【Formula】
C55 H71 Cl4 N5 O4 S
【MolWeight】
1040.07
【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
【SMILES】
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
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:18.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,4,6-TRICHLOROPHENYL)-3-(5-TETRADECANAMIDO-2-CHLOROANILINO)-4-[2-[ALPHA-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRAMIDO]PHENYLTHIO]-5-PYRAZOLONE.cml
Quick Release
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