73791-35-2
4-(4-METHYLPIPERIDINOTHIOCARBONYLAMINO)ANTIPYRINE
Name4-(4-METHYLPIPERIDINOTHIOCARBONYLAMINO)ANTIPYRINE
1Identification
【Name】
4-(4-METHYLPIPERIDINOTHIOCARBONYLAMINO)ANTIPYRINE
【CAS】
【MDL】
MFCD01664550
【English Synonyms】
【Formula】
C18 H24 N4 O S
【MolWeight】
344.481
【Inchi】
InChI=1S/C18H24N4OS/c1-13-9-11-21(12-10-13)18(24)19-16-14(2)20(3)22(17(16)23)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,24)
【InChIKey】
InChIKey=JQOSKVFDHUGGFQ-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=S)N3CCC(CC3)C
【MOL File】
4-(4-METHYLPIPERIDIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-METHYLPIPERIDINOTHIOCARBONYLAMINO)ANTIPYRINE.cml