55366-85-3
PIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-CHLORO-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
NamePIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-CHLORO-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
FormulaC29 H26 Cl F3 N4 O2 . 2 Cl H
1Identification
【Name】
PIPERAZINEETHANOL 4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-CHLORO-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01702607
【English Synonyms】
【Formula】
C29 H26 Cl F3 N4 O2 . 2 Cl H
【MolWeight】
627.919
【Inchi】
InChI=1S/C29H26ClF3N4O2.2ClH/c30-21-8-9-23-26(10-11-34-27(23)19-21)35-25-7-2-1-6-24(25)28(38)39-17-16-36-12-14-37(15-13-36)22-5-3-4-20(18-22)29(31,32)33;;/h1-11,18-19H,12-17H2,(H,34,35);2*1H
【InChIKey】
InChIKey=ZXJQMWJWOCMOSR-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)C(F)(F)F)Nc4ccnc5c4ccc(c5)Cl.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-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, N-(7-CHLORO-4-QUINOLYL)ANTHRANILATE DIHYDROCHLORIDE.cml