85673-88-7
1,5-DIPHENYL-2-(3-(4-(2-PYRIDYL)PIPERAZIN-1-YL)PROPYL)PYRAZOLIN-3-ONE, TRIHYDROCHLORIDE
Name1,5-DIPHENYL-2-(3-(4-(2-PYRIDYL)PIPERAZIN-1-YL)PROPYL)PYRAZOLIN-3-ONE, TRIHYDROCHLORIDE
pro_formulaC27 H29 N5 O . 3 Cl H
1Identification
【Name】
1,5-DIPHENYL-2-(3-(4-(2-PYRIDYL)PIPERAZIN-1-YL)PROPYL)PYRAZOLIN-3-ONE, TRIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01758176
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H29 N5 O . 3 Cl H
【pro_molWeight】
548.943
【Inchi】
InChI=1S/C27H29N5O.3ClH/c33-27-22-25(23-10-3-1-4-11-23)32(24-12-5-2-6-13-24)31(27)17-9-16-29-18-20-30(21-19-29)26-14-7-8-15-28-26;;;/h1-8,10-15,22H,9,16-21H2;3*1H
【InChIKey】
InChIKey=HVSHAQKRKNHQFT-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc(=O)n(n2c3ccccc3)CCCN4CCN(CC4)c5ccccn5.Cl.Cl.Cl
【MOL File】
1,5-DIPHENYL-2-(3-(4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,5-DIPHENYL-2-(3-(4-(2-PYRIDYL)PIPERAZIN-1-YL)PROPYL)PYRAZOLIN-3-ONE, TRIHYDROCHLORIDE.cml