296790-46-0
ETHYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(QUINOLIN-8-YLTHIO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
NameETHYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(QUINOLIN-8-YLTHIO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(QUINOLIN-8-YLTHIO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD01306266
【English Synonyms】
【Formula】
C17 H15 N7 O3 S
【MolWeight】
397.418
【Inchi】
InChI=1S/C17H15N7O3S/c1-2-26-17(25)14-11(24(23-20-14)16-15(18)21-27-22-16)9-28-12-7-3-5-10-6-4-8-19-13(10)12/h3-8H,2,9H2,1H3,(H2,18,21)
【InChIKey】
InChIKey=IGQWSGNPLIPFMD-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(n(nn1)c2c(non2)N)CSc3cccc4c3nccc4
【MOL File】
ETHYL 1-(4-AMINO-1,2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(QUINOLIN-8-YLTHIO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE.cml