767312-10-7
4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
FormulaC24 H19 Br Cl N3 O4
1Identification
【Name】
4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05720821
【English Synonyms】
【Formula】
C24 H19 Br Cl N3 O4
【MolWeight】
528.788
【Inchi】
InChI=1S/C24H19BrClN3O4/c1-15-4-2-6-17(10-15)24(32)33-21-9-8-19(25)11-18(21)13-28-29-22(30)14-27-23(31)16-5-3-7-20(26)12-16/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
【InChIKey】
InChIKey=ZIAQUMIVMTTYEQ-XODNFHPESA-N
【SMILES】
Cc1cccc(c1)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:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3-CHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml