282526-98-1
CETILISTAT
Name
CETILISTAT
Formula
C25 H39 N O3
MolWeight
401.587
1Identification
【Name】
CETILISTAT
【CAS】
【MDL】
MFCD09839697
【English Synonyms】
【Formula】
C25 H39 N O3
【MolWeight】
401.587
【Inchi】
InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
【InChIKey】
InChIKey=MVCQKIKWYUURMU-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
CETILISTAT.cml
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