850613-22-8
WAY-260022 (2HCL SALT)
NameWAY-260022 (2HCL SALT)
FormulaC21 H31 F3 N2 O2 . 2 Cl H
1Identification
【Name】
WAY-260022 (2HCL SALT)
【CAS】
【MDL】
MFCD18251431
【English Synonyms】
【Formula】
C21 H31 F3 N2 O2 . 2 Cl H
【MolWeight】
473.404
【Inchi】
InChI=1S/C21H31F3N2O2.2ClH/c1-15-12-26(13-16(2)25-15)14-19(20(27)9-4-3-5-10-20)17-7-6-8-18(11-17)28-21(22,23)24;;/h6-8,11,15-16,19,25,27H,3-5,9-10,12-14H2,1-2H3;2*1H/t15-,16+,19-;;/m1../s1
【InChIKey】
InChIKey=OAUBFRMSIYLKSH-KMFBOIRUSA-N
【SMILES】
C[C@@H]1CN(C[C@@H](N1)C)C[C@H](c2cccc(c2)OC(F)(F)F)C3(CCCCC3)O.Cl.Cl
【MOL File】
WAY-260022 (2HCL SAL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
WAY-260022 (2HCL SALT).cml