767339-22-0
1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
Name1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
1Identification
【Name】
1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05152344
【English Synonyms】
【Formula】
C28 H22 I N3 O4
【MolWeight】
591.399
【Inchi】
InChI=1S/C28H22IN3O4/c1-18-7-6-9-20(15-18)28(35)36-25-14-13-19-8-2-3-10-21(19)23(25)16-31-32-26(33)17-30-27(34)22-11-4-5-12-24(22)29/h2-16H,17H2,1H3,(H,30,34)(H,32,33)/b31-16+
【InChIKey】
InChIKey=BJIKIPRVHLUHFC-WCMJOSRZSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c4ccccc4I
【MOL File】
1-(2-(((2-IODOBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE.cml