117094-35-6
1-(2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)-3-(1-PIPERIDINYL)PROPYL)-2-PYRROLIDINONE HYDROCHLORIDE
Name1-(2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)-3-(1-PIPERIDINYL)PROPYL)-2-PYRROLIDINONE HYDROCHLORIDE
FormulaC19 H26 N6 O S . Cl H
1Identification
【Name】
1-(2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)-3-(1-PIPERIDINYL)PROPYL)-2-PYRROLIDINONE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01687189
【English Synonyms】
【Formula】
C19 H26 N6 O S . Cl H
【MolWeight】
422.982
【Inchi】
InChI=1S/C19H26N6OS.ClH/c26-18-10-7-13-24(18)15-17(14-23-11-5-2-6-12-23)27-19-20-21-22-25(19)16-8-3-1-4-9-16;/h1,3-4,8-9,17H,2,5-7,10-15H2;1H
【InChIKey】
InChIKey=STLRBQWLHQDWEA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnn2)SC(CN3CCCCC3)CN4CCCC4=O.Cl
【MOL File】
1-(2-((1-PHENYL-1H-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)-3-(1-PIPERIDINYL)PROPYL)-2-PYRROLIDINONE HYDROCHLORIDE.cml