764655-95-0
2-MEO-4-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-MEO-4-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-MEO-4-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154606
【English Synonyms】
【Formula】
C25 H22 Br N3 O5
【MolWeight】
524.369
【Inchi】
InChI=1S/C25H22BrN3O5/c1-16-6-9-18(10-7-16)24(31)27-15-23(30)29-28-14-17-8-11-21(22(12-17)33-2)34-25(32)19-4-3-5-20(26)13-19/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
【InChIKey】
InChIKey=PXJNGAHSTJPQHU-CCVNUDIWSA-N
【SMILES】
Cc1ccc(cc1)C(=O)NCC(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
【MOL File】
2-MEO-4-(2-(((4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE.cml