765912-91-2
4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
FormulaC26 H23 Br F N3 O5
1Identification
【Name】
4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154555
【English Synonyms】
【Formula】
C26 H23 Br F N3 O5
【MolWeight】
556.386
【Inchi】
InChI=1S/C26H23BrFN3O5/c1-2-13-35-22-10-5-18(6-11-22)26(34)36-23-12-7-20(27)14-19(23)15-30-31-24(32)16-29-25(33)17-3-8-21(28)9-4-17/h3-12,14-15H,2,13,16H2,1H3,(H,29,33)(H,31,32)/b30-15+
【InChIKey】
InChIKey=GIDBLNZIDXIQGM-FJEPWZHXSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccc(cc3)F)Br
【MOL File】
4-BR-2-(2-(((4-FLUOR….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-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml