767339-14-0
4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
Name4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
1Identification
【Name】
4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
【CAS】
【MDL】
MFCD05152352
【English Synonyms】
【Formula】
C21 H16 I N3 O4 S
【MolWeight】
533.34
【Inchi】
InChI=1S/C21H16IN3O4S/c22-17-5-2-1-4-16(17)20(27)23-13-19(26)25-24-12-14-7-9-15(10-8-14)29-21(28)18-6-3-11-30-18/h1-12H,13H2,(H,23,27)(H,25,26)/b24-12+
【InChIKey】
InChIKey=LQHAQRSYKZMJDZ-WYMPLXKRSA-N
【SMILES】
c1ccc(c(c1)C(=O)NCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3cccs3)I
【MOL File】
4-(2-(((2-IODOBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE.cml