764656-91-9
1-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
Name1-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
FormulaC27 H19 Br Cl N3 O4
1Identification
【Name】
1-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154576
【English Synonyms】
【Formula】
C27 H19 Br Cl N3 O4
【MolWeight】
564.821
【Inchi】
InChI=1S/C27H19BrClN3O4/c28-20-6-3-5-19(14-20)26(34)30-16-25(33)32-31-15-23-22-7-2-1-4-17(22)10-13-24(23)36-27(35)18-8-11-21(29)12-9-18/h1-15H,16H2,(H,30,34)(H,32,33)/b31-15+
【InChIKey】
InChIKey=CWKAMJJRRGAVAV-IBBHUPRXSA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)CNC(=O)c3cccc(c3)Br)OC(=O)c4ccc(cc4)Cl
【MOL File】
1-(2-(((3-BROMOBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE.cml