55905-94-7
PIPERAZINEETHANOL 4-PHENYL-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
NamePIPERAZINEETHANOL 4-PHENYL-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
FormulaC29 H27 F3 N4 O2 . 2 Cl H
1Identification
【Name】
PIPERAZINEETHANOL 4-PHENYL-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01702632
【English Synonyms】
【Formula】
C29 H27 F3 N4 O2 . 2 Cl H
【MolWeight】
593.474
【Inchi】
InChI=1S/C29H27F3N4O2.2ClH/c30-29(31,32)21-10-11-23-26(12-13-33-27(23)20-21)34-25-9-5-4-8-24(25)28(37)38-19-18-35-14-16-36(17-15-35)22-6-2-1-3-7-22;;/h1-13,20H,14-19H2,(H,33,34);2*1H
【InChIKey】
InChIKey=YBNCHUPYXLJFQL-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2CCN(CC2)CCOC(=O)c3ccccc3Nc4ccnc5c4ccc(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:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPERAZINEETHANOL 4-PHENYL-, N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE.cml