875446-37-0
ANACETRAPIB
Name
ANACETRAPIB
Formula
C30 H25 F10 N O3
MolWeight
637.511
1Identification
【Name】
ANACETRAPIB
【CAS】
【MDL】
MFCD16294903
【English Synonyms】
【Formula】
C30 H25 F10 N O3
【MolWeight】
637.511
【Inchi】
InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
【InChIKey】
InChIKey=MZZLGJHLQGUVPN-HAWMADMCSA-N
【SMILES】
C[C@H]1[C@H](OC(=O)N1Cc2cc(ccc2c3cc(c(cc3OC)F)C(C)C)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:10.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ANACETRAPIB.cml
Quick Release
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