70621-14-6
4,4'-1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)BISN-(2-ETHOXYPHENYL)-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
Name4,4'-1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)BISN-(2-ETHOXYPHENYL)-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
1Identification
【Name】
4,4'-1,3,4-OXADIAZOLE-2,5-DIYLBIS(4,1-PHENYLENEAZO)BISN-(2-ETHOXYPHENYL)-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
【CAS】
【MDL】
MFCD09028053
【English Synonyms】
【Formula】
C52 H40 N8 O7
【MolWeight】
888.937
【Inchi】
InChI=1S/C52H40N8O7/c1-3-65-43-19-11-9-17-41(43)53-49(63)39-29-33-13-5-7-15-37(33)45(47(39)61)57-55-35-25-21-31(22-26-35)51-59-60-52(67-51)32-23-27-36(28-24-32)56-58-46-38-16-8-6-14-34(38)30-40(48(46)62)50(64)54-42-18-10-12-20-44(42)66-4-2/h5-30,61-62H,3-4H2,1-2H3,(H,53,63)(H,54,64)/b57-55-,58-56-
【InChIKey】
InChIKey=HEEPWBGERXUSAP-KEAJFPJCSA-N
【SMILES】
CCOc1ccccc1NC(=O)c2cc3ccccc3c(c2O)/N=N\c4ccc(cc4)c5nnc(o5)c6ccc(cc6)/N=N\c7c8ccccc8cc(c7O)C(=O)Nc9ccccc9OCC
【MOL File】
4,4'-1,3,4-OXADIAZOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:15
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)BISN-(2-ETHOXYPHENYL)-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE.cml