769153-77-7
2-(2-(((3,4,5-TRIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
Name2-(2-(((3,4,5-TRIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
1Identification
【Name】
2-(2-(((3,4,5-TRIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153381
【English Synonyms】
【Formula】
C26 H24 Cl N3 O7
【MolWeight】
525.943
【Inchi】
InChI=1S/C26H24ClN3O7/c1-34-21-12-18(13-22(35-2)24(21)36-3)25(32)28-15-23(31)30-29-14-17-6-4-5-7-20(17)37-26(33)16-8-10-19(27)11-9-16/h4-14H,15H2,1-3H3,(H,28,32)(H,30,31)/b29-14+
【InChIKey】
InChIKey=YKHFRHPFDWNJFR-IPPBACCNSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-(((3,4,5-TRIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(((3,4,5-TRIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE.cml