51941-02-7
PIPERAZINEETHANOL 4-(3-CHLOROPHENYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
NamePIPERAZINEETHANOL 4-(3-CHLOROPHENYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
FormulaC29 H26 Cl F3 N4 O3 . 2 Cl H
1Identification
【Name】
PIPERAZINEETHANOL 4-(3-CHLOROPHENYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01702820
【English Synonyms】
【Formula】
C29 H26 Cl F3 N4 O3 . 2 Cl H
【MolWeight】
643.918
【Inchi】
InChI=1S/C29H26ClF3N4O3.2ClH/c30-20-4-3-5-21(18-20)37-14-12-36(13-15-37)16-17-39-28(38)24-6-1-2-7-25(24)35-26-10-11-34-27-19-22(8-9-23(26)27)40-29(31,32)33;;/h1-11,18-19H,12-17H2,(H,34,35);2*1H
【InChIKey】
InChIKey=PUBFQVSOXJSNTL-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)Cl)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
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPERAZINEETHANOL 4-(3-CHLOROPHENYL)-, N-(7-TRIFLUOROMETHOXY-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE.cml