769151-29-3
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
FormulaC26 H23 Br I N3 O5
1Identification
【Name】
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153703
【English Synonyms】
【Formula】
C26 H23 Br I N3 O5
【MolWeight】
664.288
【Inchi】
InChI=1S/C26H23BrIN3O5/c1-2-13-35-20-10-7-17(8-11-20)26(34)36-23-12-9-19(27)14-18(23)15-30-31-24(32)16-29-25(33)21-5-3-4-6-22(21)28/h3-12,14-15H,2,13,16H2,1H3,(H,29,33)(H,31,32)/b30-15+
【InChIKey】
InChIKey=DGBUSDWHPBEUQR-FJEPWZHXSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccccc3I)Br
【MOL File】
4-BR-2-(2-(((2-IODOB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml