70621-24-8
4,4'-[1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)]BIS[N-(4-CHLORO-2,5-DIMETHOXYPHENYL)]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
Name4,4'-[1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)]BIS[N-(4-CHLORO-2,5-DIMETHOXYPHENYL)]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
1Identification
【Name】
4,4'-[1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)]BIS[N-(4-CHLORO-2,5-DIMETHOXYPHENYL)]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
【CAS】
【MDL】
MFCD09028051
【English Synonyms】
【Formula】
C52 H38 Cl2 N8 O9
【MolWeight】
989.825
【Inchi】
InChI=1S/C52H38Cl2N8O9/c1-67-41-25-39(43(69-3)23-37(41)53)55-49(65)35-21-29-9-5-7-11-33(29)45(47(35)63)59-57-31-17-13-27(14-18-31)51-61-62-52(71-51)28-15-19-32(20-16-28)58-60-46-34-12-8-6-10-30(34)22-36(48(46)64)50(66)56-40-26-42(68-2)38(54)24-44(40)70-4/h5-26,63-64H,1-4H3,(H,55,65)(H,56,66)/b59-57-,60-58-
【InChIKey】
InChIKey=LLXAWCPZAHBQJL-MSOCPARDSA-N
【SMILES】
COc1cc(c(cc1Cl)OC)NC(=O)c2cc3ccccc3c(c2O)/N=N\c4ccc(cc4)c5nnc(o5)c6ccc(cc6)/N=N\c7c8ccccc8cc(c7O)C(=O)Nc9cc(c(cc9OC)Cl)OC
【MOL File】
4,4'-[1,3,4-OXADIAZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:17
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4'-[1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)]BIS[N-(4-CHLORO-2,5-DIMETHOXYPHENYL)]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE.cml