120944-30-1
4-(1,1'-BIPHENYL-4-YL)-5-(2-(4-PHENYL-1-PIPERAZINYL)ETHYL)-2(3H)-OXAZOLONE DIHYDROCHLORIDE
Name4-(1,1'-BIPHENYL-4-YL)-5-(2-(4-PHENYL-1-PIPERAZINYL)ETHYL)-2(3H)-OXAZOLONE DIHYDROCHLORIDE
FormulaC27 H27 N3 O2 . 2 Cl H
1Identification
【Name】
4-(1,1'-BIPHENYL-4-YL)-5-(2-(4-PHENYL-1-PIPERAZINYL)ETHYL)-2(3H)-OXAZOLONE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01709624
【English Synonyms】
【Formula】
C27 H27 N3 O2 . 2 Cl H
【MolWeight】
498.451
【Inchi】
InChI=1S/C27H27N3O2.2ClH/c31-27-28-26(23-13-11-22(12-14-23)21-7-3-1-4-8-21)25(32-27)15-16-29-17-19-30(20-18-29)24-9-5-2-6-10-24;;/h1-14H,15-20H2,(H,28,31);2*1H
【InChIKey】
InChIKey=FTULXGWYEYCPRC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2ccc(cc2)c3c(oc(=O)[nH]3)CCN4CCN(CC4)c5ccccc5.Cl.Cl
【MOL File】
4-(1,1'-BIPHENYL-4-Y….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1,1'-BIPHENYL-4-YL)-5-(2-(4-PHENYL-1-PIPERAZINYL)ETHYL)-2(3H)-OXAZOLONE DIHYDROCHLORIDE.cml