ChemSpider 2D Image | CP 532623 | C27H27F9N2O3

CP 532623

  • Molecular FormulaC27H27F9N2O3
  • Average mass598.500 Da
  • Monoisotopic mass598.187805 Da
  • ChemSpider ID8320854

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-4-[Acetyl[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-1(2H)-quinolinecarboxylic acid 1-methylethyl ester
(2R,4S)-4-{Acétyl[3,5-bis(trifluorométhyl)benzyl]amino}-2-éthyl-6-(trifluorométhyl)-3,4-dihydro-1(2H)-quinoléinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
1(2H)-Quinolinecarboxylic acid, 4-[acetyl[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- [ACD/Index Name]
261947-38-0 [RN]
5KK52HG8DY
CP 532623
CP-532623
Isopropyl (2R,4S)-4-{acetyl[3,5-bis(trifluoromethyl)benzyl]amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
Isopropyl-(2R,4S)-4-{acetyl[3,5-bis(trifluormethyl)benzyl]amino}-2-ethyl-6-(trifluormethyl)-3,4-dihydro-1(2H)-chinolincarboxylat [German] [ACD/IUPAC Name]
(2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 131442.92
ACD/KOC (pH 5.5): 160535.00
ACD/LogD (pH 7.4): 7.04
ACD/BCF (pH 7.4): 131442.92
ACD/KOC (pH 7.4): 160535.00
Polar Surface Area: 50 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 433.2±5.0 cm3

Click to predict properties on the Chemicalize site


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