767335-78-4
4-BROMO-2-(2-(3,4,5-TRIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(3,4,5-TRIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(3,4,5-TRIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154322
【English Synonyms】
【Formula】
C25 H23 Br N2 O7
【MolWeight】
543.368
【Inchi】
InChI=1S/C25H23BrN2O7/c1-31-19-8-5-15(6-9-19)25(30)35-20-10-7-18(26)11-17(20)14-27-28-24(29)16-12-21(32-2)23(34-4)22(13-16)33-3/h5-14H,1-4H3,(H,28,29)/b27-14+
【InChIKey】
InChIKey=DDGAOJZKFQXKPA-MZJWZYIUSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cc(c(c(c3)OC)OC)OC)Br
【MOL File】
4-BROMO-2-(2-(3,4,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3,4,5-TRIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml