ChemSpider 2D Image | 1-(4-Methyl-1,2,5-oxadiazol-3-yl)-N-[(2-{[3-(trifluoromethyl)benzyl]oxy}-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]methanamine | C25H23F3N4O2

1-(4-Methyl-1,2,5-oxadiazol-3-yl)-N-[(2-{[3-(trifluoromethyl)benzyl]oxy}-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]methanamine

  • Molecular FormulaC25H23F3N4O2
  • Average mass468.471 Da
  • Monoisotopic mass468.177307 Da
  • ChemSpider ID23062803

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-Methyl-1,2,5-oxadiazol-3-yl)-N-[(2-{[3-(trifluormethyl)benzyl]oxy}-7,8-dihydro-6H-cyclopenta[g]chinolin-3-yl)methyl]methanamin [German] [ACD/IUPAC Name]
1-(4-Méthyl-1,2,5-oxadiazol-3-yl)-N-[(2-{[3-(trifluorométhyl)benzyl]oxy}-7,8-dihydro-6H-cyclopenta[g]quinoléin-3-yl)méthyl]méthanamine [French] [ACD/IUPAC Name]
1-(4-Methyl-1,2,5-oxadiazol-3-yl)-N-[(2-{[3-(trifluoromethyl)benzyl]oxy}-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]methanamine [ACD/IUPAC Name]
6H-Cyclopenta[g]quinoline-3-methanamine, 7,8-dihydro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 567.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4098.46
ACD/KOC (pH 5.5): 13199.48
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4332.73
ACD/KOC (pH 7.4): 13953.94
Polar Surface Area: 73 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 351.9±3.0 cm3

Click to predict properties on the Chemicalize site


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