147489-06-3
T-BUTYL (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-ISOPROPYLIDENEDIOXY-6-HEPTENOATE
NameT-BUTYL (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-ISOPROPYLIDENEDIOXY-6-HEPTENOATE
1Identification
【Name】
T-BUTYL (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-ISOPROPYLIDENEDIOXY-6-HEPTENOATE
【CAS】
【MDL】
MFCD12911897
【English Synonyms】
【Formula】
C32 H36 F N O4
【MolWeight】
517.637
【Inchi】
InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+/t23-,24-/m1/s1
【InChIKey】
InChIKey=GTJPCLUSFUIHTP-KAAYJFPCSA-N
【SMILES】
CC1(O[C@H](C[C@H](O1)/C=C/c2c(c3ccccc3nc2C4CC4)c5ccc(cc5)F)CC(=O)OC(C)(C)C)C
【MOL File】
T-BUTYL (3R,5S)-7-[2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
T-BUTYL (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-ISOPROPYLIDENEDIOXY-6-HEPTENOATE.cml