62030-88-0
DUOPERONE
Name
DUOPERONE
Formula
C28 H26 F4 N2 O S
MolWeight
514.584
1Identification
【Name】
DUOPERONE
【CAS】
【MDL】
MFCD00867755
【English Synonyms】
【Formula】
C28 H26 F4 N2 O S
【MolWeight】
514.584
【Inchi】
InChI=1S/C28H26F4N2OS/c29-22-9-6-19(7-10-22)27(35)20-12-16-33(17-13-20)14-3-15-34-23-4-1-2-5-25(23)36-26-11-8-21(18-24(26)34)28(30,31)32/h1-2,4-11,18,20H,3,12-17H2
【InChIKey】
InChIKey=XMUZRUCADGTCPX-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCC(CC4)C(=O)c5ccc(cc5)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DUOPERONE.cml
Quick Release
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