330629-07-7
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
Name4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
1Identification
【Name】
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
【CAS】
【MDL】
MFCD00322781
【English Synonyms】
【Formula】
C25 H22 Br N3 O6
【MolWeight】
540.368
【Inchi】
InChI=1S/C25H22BrN3O6/c1-33-21-12-7-18(13-22(21)34-2)24(31)27-15-23(30)29-28-14-16-3-10-20(11-4-16)35-25(32)17-5-8-19(26)9-6-17/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
【InChIKey】
InChIKey=AYVUOTZIVWVLAP-CCVNUDIWSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)NCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(((3,4-DIMETHOX….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-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE.cml