51941-04-9
PIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
NamePIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
FormulaC30 H26 F6 N4 O3 . 2 Cl H
1Identification
【Name】
PIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01702608
【English Synonyms】
【Formula】
C30 H26 F6 N4 O3 . 2 Cl H
【MolWeight】
677.47
【Inchi】
InChI=1S/C30H26F6N4O3.2ClH/c31-29(32,33)20-4-3-5-21(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-22(8-9-23(26)27)43-30(34,35)36;;/h1-11,18-19H,12-17H2,(H,37,38);2*1H
【InChIKey】
InChIKey=MGWWDANKYMQDGC-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)C(F)(F)F)Nc4ccnc5c4ccc(c5)OC(F)(F)F.Cl.Cl
【MOL File】
PIPERAZINEETHANOL 4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE.cml