107047-67-6
N-(2-CHLOROPHENYL)-4-[[4-[6-[[3-[[(2-CHLOROPHENYL)AMINO]CARBONYL]-2-HYDROXY-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
NameN-(2-CHLOROPHENYL)-4-[[4-[6-[[3-[[(2-CHLOROPHENYL)AMINO]CARBONYL]-2-HYDROXY-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
1Identification
【Name】
N-(2-CHLOROPHENYL)-4-[[4-[6-[[3-[[(2-CHLOROPHENYL)AMINO]CARBONYL]-2-HYDROXY-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
【CAS】
【MDL】
MFCD09028048
【English Synonyms】
【Formula】
C47 H29 Cl2 N7 O5
【MolWeight】
842.696
【Inchi】
InChI=1S/C47H29Cl2N7O5/c48-35-13-5-7-15-37(35)50-45(59)33-23-27-9-1-3-11-31(27)41(43(33)57)55-53-29-19-17-26(18-20-29)47-52-39-22-21-30(25-40(39)61-47)54-56-42-32-12-4-2-10-28(32)24-34(44(42)58)46(60)51-38-16-8-6-14-36(38)49/h1-25,57-58H,(H,50,59)(H,51,60)/b55-53-,56-54+
【InChIKey】
InChIKey=BYCPAICXRAPAPG-YRTLCDMVSA-N
【SMILES】
c1ccc2c(c1)cc(c(c2/N=N\c3ccc(cc3)c4nc5ccc(cc5o4)/N=N/c6c7ccccc7cc(c6O)C(=O)Nc8ccccc8Cl)O)C(=O)Nc9ccccc9Cl
【MOL File】
N-(2-CHLOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:14.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-CHLOROPHENYL)-4-[[4-[6-[[3-[[(2-CHLOROPHENYL)AMINO]CARBONYL]-2-HYDROXY-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE.cml