31598-52-4
3-[[2-[2,4-BIS(TERT-PENTYL)PHENOXY]BUTYRYL]AMINO]-N-[4,5-DIHYDRO-5-OXO-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOL-3-YL]BENZAMIDE
Name3-[[2-[2,4-BIS(TERT-PENTYL)PHENOXY]BUTYRYL]AMINO]-N-[4,5-DIHYDRO-5-OXO-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOL-3-YL]BENZAMIDE
1Identification
【Name】
3-[[2-[2,4-BIS(TERT-PENTYL)PHENOXY]BUTYRYL]AMINO]-N-[4,5-DIHYDRO-5-OXO-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOL-3-YL]BENZAMIDE
【CAS】
【MDL】
MFCD09834398
【English Synonyms】
【Formula】
C36 H41 Cl3 N4 O4
【MolWeight】
700.103
【Inchi】
InChI=1S/C36H41Cl3N4O4/c1-8-28(47-29-15-14-22(35(4,5)9-2)17-25(29)36(6,7)10-3)34(46)40-24-13-11-12-21(16-24)33(45)41-30-20-31(44)43(42-30)32-26(38)18-23(37)19-27(32)39/h11-19,28H,8-10,20H2,1-7H3,(H,40,46)(H,41,42,45)
【InChIKey】
InChIKey=YRDPBPLUAPBDQV-UHFFFAOYSA-N
【SMILES】
CCC(C(=O)Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(cc(cc3Cl)Cl)Cl)Oc4ccc(cc4C(C)(C)CC)C(C)(C)CC
【MOL File】
3-[[2-[2,4-BIS(TERT-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[2-[2,4-BIS(TERT-PENTYL)PHENOXY]BUTYRYL]AMINO]-N-[4,5-DIHYDRO-5-OXO-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOL-3-YL]BENZAMIDE.cml