769151-60-2
4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
Name4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
FormulaC24 H19 Br I N3 O5
1Identification
【Name】
4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153656
【English Synonyms】
【Formula】
C24 H19 Br I N3 O5
【MolWeight】
636.234
【Inchi】
InChI=1S/C24H19BrIN3O5/c1-33-21-11-15(9-10-20(21)34-24(32)16-5-4-6-17(25)12-16)13-28-29-22(30)14-27-23(31)18-7-2-3-8-19(18)26/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
【InChIKey】
InChIKey=JQDATBZTHZLGGX-XODNFHPESA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)CNC(=O)c3ccccc3I
【MOL File】
4-(2-(((2-IODOBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE.cml