769150-45-0
4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC24 H19 Br Cl N3 O5
1Identification
【Name】
4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153958
【English Synonyms】
【Formula】
C24 H19 Br Cl N3 O5
【MolWeight】
544.787
【Inchi】
InChI=1S/C24H19BrClN3O5/c1-33-20-8-5-15(6-9-20)24(32)34-21-10-7-18(25)11-17(21)13-28-29-22(30)14-27-23(31)16-3-2-4-19(26)12-16/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
【InChIKey】
InChIKey=ZYIFFFDLBYUWRU-XODNFHPESA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3cccc(c3)Cl)Br
【MOL File】
4-BR-2-(2-(((3-CHLOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml