56208-01-6
PIFARNINE
Name
PIFARNINE
Formula
C27 H40 N2 O2
MolWeight
424.625
1Identification
【Name】
PIFARNINE
【CAS】
【MDL】
MFCD00866875
【English Synonyms】
【Formula】
C27 H40 N2 O2
【MolWeight】
424.625
【Inchi】
InChI=1S/C27H40N2O2/c1-22(2)7-5-8-23(3)9-6-10-24(4)13-14-28-15-17-29(18-16-28)20-25-11-12-26-27(19-25)31-21-30-26/h7,9,11-13,19H,5-6,8,10,14-18,20-21H2,1-4H3/b23-9+,24-13+
【InChIKey】
InChIKey=DVJCPEWCHQLAEH-GLHLOLHSSA-N
【SMILES】
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)Cc2ccc3c(c2)OCO3)/C)/C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIFARNINE.cml
Quick Release
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