767335-76-2
2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Name2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154325
【English Synonyms】
【Formula】
C29 H23 Br N2 O5
【MolWeight】
559.414
【Inchi】
InChI=1S/C29H23BrN2O5/c1-35-25-12-9-22(10-13-25)29(34)37-27-16-11-24(30)17-23(27)18-31-32-28(33)21-7-14-26(15-8-21)36-19-20-5-3-2-4-6-20/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=YKLGYXCPJDSZIR-FDAWAROLSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccccc4)Br
【MOL File】
2-(2-(4-(BENZYLOXY)B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE.cml