ChemSpider 2D Image | N-{(1R,2S,5R)-5-[Isopropyl(methyl)amino]-2-[(3S)-2-oxo-3-{[6-(trifluoromethyl)-4-quinazolinyl]amino}-1-pyrrolidinyl]cyclohexyl}methanesulfonamide | C24H33F3N6O3S

N-{(1R,2S,5R)-5-[Isopropyl(methyl)amino]-2-[(3S)-2-oxo-3-{[6-(trifluoromethyl)-4-quinazolinyl]amino}-1-pyrrolidinyl]cyclohexyl}methanesulfonamide

  • Molecular FormulaC24H33F3N6O3S
  • Average mass542.617 Da
  • Monoisotopic mass542.228699 Da
  • ChemSpider ID129186570

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Methanesulfonamide, N-[(1R,2S,5R)-5-[methyl(1-methylethyl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)-4-quinazolinyl]amino]-1-pyrrolidinyl]cyclohexyl]- [ACD/Index Name]
N-{(1R,2S,5R)-5-[Isopropyl(methyl)amino]-2-[(3S)-2-oxo-3-{[6-(trifluormethyl)-4-chinazolinyl]amino}-1-pyrrolidinyl]cyclohexyl}methansulfonamid [German] [ACD/IUPAC Name]
N-{(1R,2S,5R)-5-[Isopropyl(methyl)amino]-2-[(3S)-2-oxo-3-{[6-(trifluoromethyl)-4-quinazolinyl]amino}-1-pyrrolidinyl]cyclohexyl}methanesulfonamide [ACD/IUPAC Name]
N-{(1R,2S,5R)-5-[Isopropyl(méthyl)amino]-2-[(3S)-2-oxo-3-{[6-(trifluorométhyl)-4-quinazolinyl]amino}-1-pyrrolidinyl]cyclohexyl}méthanesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 116 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 394.1±5.0 cm3

Click to predict properties on the Chemicalize site


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