ChemSpider 2D Image | N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide | C34H35F3N4O3

N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide

  • Molecular FormulaC34H35F3N4O3
  • Average mass604.662 Da
  • Monoisotopic mass604.266113 Da
  • ChemSpider ID24711766

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluormethyl)benzyl]amino}-2-butanyl]-8-(2-oxo-1-pyrrolidinyl)-6-chinolincarboxamid [German] [ACD/IUPAC Name]
4-Éthyl-N-[(2S,3R)-3-hydroxy-1-phényl-4-{[3-(trifluorométhyl)benzyl]amino}-2-butanyl]-8-(2-oxo-1-pyrrolidinyl)-6-quinoléinecarboxamide [French] [ACD/IUPAC Name]
4-Ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide [ACD/IUPAC Name]
6-Quinolinecarboxamide, 4-ethyl-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-8-(2-oxo-1-pyrrolidinyl)- [ACD/Index Name]
N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 863.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 475.7±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 163.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 16.82
ACD/KOC (pH 5.5): 52.47
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 860.55
ACD/KOC (pH 7.4): 2685.21
Polar Surface Area: 95 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 469.0±3.0 cm3

Click to predict properties on the Chemicalize site


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