764655-92-7
4-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154609
【English Synonyms】
【Formula】
C25 H22 Br N3 O6
【MolWeight】
540.368
【Inchi】
InChI=1S/C25H22BrN3O6/c1-33-21-11-8-18(13-22(21)34-2)25(32)35-20-9-6-16(7-10-20)14-28-29-23(30)15-27-24(31)17-4-3-5-19(26)12-17/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
【InChIKey】
InChIKey=XYNXLYYKMRZVTO-CCVNUDIWSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)/C=N/NC(=O)CNC(=O)c3cccc(c3)Br
【MOL File】
4-(2-(((3-BROMOBENZO….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-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml