767312-21-0
4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-FUROATE
Name4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-FUROATE
1Identification
【Name】
4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-FUROATE
【CAS】
【MDL】
MFCD05720812
【English Synonyms】
【Formula】
C21 H16 I N3 O5
【MolWeight】
517.273
【Inchi】
InChI=1S/C21H16IN3O5/c22-17-5-2-1-4-16(17)20(27)23-13-19(26)25-24-12-14-7-9-15(10-8-14)30-21(28)18-6-3-11-29-18/h1-12H,13H2,(H,23,27)(H,25,26)/b24-12+
【InChIKey】
InChIKey=UAECTZMNUSHHCX-WYMPLXKRSA-N
【SMILES】
c1ccc(c(c1)C(=O)NCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccco3)I
【MOL File】
4-(2-(((2-IODOBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-FUROATE.cml