765912-95-6
4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC25 H21 Br Cl N3 O6
1Identification
【Name】
4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD00305129
【English Synonyms】
【Formula】
C25 H21 Br Cl N3 O6
【MolWeight】
574.813
【Inchi】
InChI=1S/C25H21BrClN3O6/c1-34-21-9-7-15(12-22(21)35-2)24(32)28-14-23(31)30-29-13-16-11-17(26)8-10-20(16)36-25(33)18-5-3-4-6-19(18)27/h3-13H,14H2,1-2H3,(H,28,32)(H,30,31)/b29-13+
【InChIKey】
InChIKey=VDCOWOATJFNKGW-VFLNYLIXSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)NCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BR-2-(2-(((3,4-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml