55905-93-6
PIPERAZINEETHANOL 4-(3-(TRIFLUOROMETHOXY)PHENYL)-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
NamePIPERAZINEETHANOL 4-(3-(TRIFLUOROMETHOXY)PHENYL)-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
FormulaC30 H26 F6 N4 O3 . 2 Cl H
1Identification
【Name】
PIPERAZINEETHANOL 4-(3-(TRIFLUOROMETHOXY)PHENYL)-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01702600
【English Synonyms】
【Formula】
C30 H26 F6 N4 O3 . 2 Cl H
【MolWeight】
677.47
【Inchi】
InChI=1S/C30H26F6N4O3.2ClH/c31-29(32,33)20-8-9-23-26(10-11-37-27(23)18-20)38-25-7-2-1-6-24(25)28(41)42-17-16-39-12-14-40(15-13-39)21-4-3-5-22(19-21)43-30(34,35)36;;/h1-11,18-19H,12-17H2,(H,37,38);2*1H
【InChIKey】
InChIKey=VMDTUDBDGZFVGW-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)OC(F)(F)F)Nc4ccnc5c4ccc(c5)C(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-(3-(TRIFLUOROMETHOXY)PHENYL)-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE.cml