769150-26-7
N-(2-(2-(5-BROMO-2-METHOXYBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-4-PROPOXYBENZAMIDE
NameN-(2-(2-(5-BROMO-2-METHOXYBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-4-PROPOXYBENZAMIDE
1Identification
【Name】
N-(2-(2-(5-BROMO-2-METHOXYBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-4-PROPOXYBENZAMIDE
【CAS】
【MDL】
MFCD05153978
【English Synonyms】
【Formula】
C20 H22 Br N3 O4
【MolWeight】
448.315
【Inchi】
InChI=1S/C20H22BrN3O4/c1-3-10-28-17-7-4-14(5-8-17)20(26)22-13-19(25)24-23-12-15-11-16(21)6-9-18(15)27-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,26)(H,24,25)/b23-12+
【InChIKey】
InChIKey=HAWQHUZNOASCKD-FSJBWODESA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)NCC(=O)N/N=C/c2cc(ccc2OC)Br
【MOL File】
N-(2-(2-(5-BROMO-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-(2-(5-BROMO-2-METHOXYBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-4-PROPOXYBENZAMIDE.cml