769151-40-8
4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05153684
【English Synonyms】
【Formula】
C25 H22 I N3 O6
【MolWeight】
587.364
【Inchi】
InChI=1S/C25H22IN3O6/c1-33-21-12-9-17(13-22(21)34-2)25(32)35-18-10-7-16(8-11-18)14-28-29-23(30)15-27-24(31)19-5-3-4-6-20(19)26/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
【InChIKey】
InChIKey=ZNCHLWYZMZOTPP-CCVNUDIWSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)/C=N/NC(=O)CNC(=O)c3ccccc3I
【MOL File】
4-(2-(((2-IODOBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml