769151-84-0
4-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153627
【English Synonyms】
【Formula】
C26 H23 Br2 N3 O5
【MolWeight】
617.292
【Inchi】
InChI=1S/C26H23Br2N3O5/c1-2-12-35-22-9-6-17(7-10-22)26(34)36-23-11-8-21(28)14-19(23)15-30-31-24(32)16-29-25(33)18-4-3-5-20(27)13-18/h3-11,13-15H,2,12,16H2,1H3,(H,29,33)(H,31,32)/b30-15+
【InChIKey】
InChIKey=HGWDUDCWAZXYLH-FJEPWZHXSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3cccc(c3)Br)Br
【MOL File】
4-BR-2-(2-(((3-BROMO….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-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml