AC1MHLA4
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate;dihydrochloride
Also Known As: Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride|2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride|2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate--hydrogen chloride (1/2)
| Molecular Formula | C29H28Cl3F3N4O2 |
|---|---|
| Molecular Weight | 626.123 g/mol |
| LogP | 7.4732 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 626.123 |
| Monoisotopic Mass | 626.123 |
| Heavy Atoms | 41 |
| Complexity | 1481.4132 |
Chemical Identifiers
| CAS Number | 69838-71-7 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C5=CC(=CC=C5)Cl.Cl.Cl |
Product Overview
AC1MHLA4 (CAS 69838-71-7), with molecular formula C29H28Cl3F3N4O2 and molecular weight 626.123 g/mol. IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate;dihydrochloride.
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