185836-64-0
(R)-3-METHYL-4-[4-[4-(4-PYRIDINYL)-1-PIPERAZINYL]PHENOXY]-BUTANOIC ACID
Name(R)-3-METHYL-4-[4-[4-(4-PYRIDINYL)-1-PIPERAZINYL]PHENOXY]-BUTANOIC ACID
1Identification
【Name】
(R)-3-METHYL-4-[4-[4-(4-PYRIDINYL)-1-PIPERAZINYL]PHENOXY]-BUTANOIC ACID
【CAS】
【MDL】
MFCD00949115
【English Synonyms】
【Formula】
C20 H25 N3 O3
【MolWeight】
355.435
【Inchi】
InChI=1S/C20H25N3O3/c1-16(14-20(24)25)15-26-19-4-2-17(3-5-19)22-10-12-23(13-11-22)18-6-8-21-9-7-18/h2-9,16H,10-15H2,1H3,(H,24,25)/t16-/m1/s1
【InChIKey】
InChIKey=RVVTUJLHUHZYOD-MRXNPFEDSA-N
【SMILES】
C[C@H](CC(=O)O)COc1ccc(cc1)N2CCN(CC2)c3ccncc3
【MOL File】
(R)-3-METHYL-4-[4-[4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-3-METHYL-4-[4-[4-(4-PYRIDINYL)-1-PIPERAZINYL]PHENOXY]-BUTANOIC ACID.cml