78819-61-1
N-[5-OXO-1-(2,4,6-TRICHLOROPHENYL)-2-PYRAZOLIN-3-YL]-3-[2-(2,4-DI-T-PENTYLPHENOXY)HEXANAMIDO]BENZAMIDE
NameN-[5-OXO-1-(2,4,6-TRICHLOROPHENYL)-2-PYRAZOLIN-3-YL]-3-[2-(2,4-DI-T-PENTYLPHENOXY)HEXANAMIDO]BENZAMIDE
1Identification
【Name】
N-[5-OXO-1-(2,4,6-TRICHLOROPHENYL)-2-PYRAZOLIN-3-YL]-3-[2-(2,4-DI-T-PENTYLPHENOXY)HEXANAMIDO]BENZAMIDE
【CAS】
【MDL】
MFCD04038069
【English Synonyms】
【Formula】
C38 H45 Cl3 N4 O4
【MolWeight】
728.156
【Inchi】
InChI=1S/C38H45Cl3N4O4/c1-8-11-15-31(49-30-17-16-24(37(4,5)9-2)19-27(30)38(6,7)10-3)36(48)42-26-14-12-13-23(18-26)35(47)43-32-22-33(46)45(44-32)34-28(40)20-25(39)21-29(34)41/h12-14,16-21,31H,8-11,15,22H2,1-7H3,(H,42,48)(H,43,44,47)
【InChIKey】
InChIKey=OLNZAJNOMDSXRA-UHFFFAOYSA-N
【SMILES】
CCCCC(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】
N-[5-OXO-1-(2,4,6-TR….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
N-[5-OXO-1-(2,4,6-TRICHLOROPHENYL)-2-PYRAZOLIN-3-YL]-3-[2-(2,4-DI-T-PENTYLPHENOXY)HEXANAMIDO]BENZAMIDE.cml