764655-62-1
4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05154640
【English Synonyms】
【Formula】
C25 H22 Br N3 O6
【MolWeight】
540.368
【Inchi】
InChI=1S/C25H22BrN3O6/c1-33-21-10-8-17(13-22(21)34-2)24(31)27-15-23(30)29-28-14-18-12-19(26)9-11-20(18)35-25(32)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
【InChIKey】
InChIKey=VYGIAMMYIQYDDG-CCVNUDIWSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)NCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3)Br
【MOL File】
4-BR-2-(2-(((3,4-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml