ChemSpider 2D Image | (3S)-N-{3-[2-{[(2R)-1-Hydroxy-2-propanyl]amino}-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl}-3-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide | C26H34F3N5O3

(3S)-N-{3-[2-{[(2R)-1-Hydroxy-2-propanyl]amino}-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl}-3-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC26H34F3N5O3
  • Average mass521.575 Da
  • Monoisotopic mass521.261353 Da
  • ChemSpider ID115277132

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-N-{3-[2-{[(2R)-1-Hydroxy-2-propanyl]amino}-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl}-3-(2,2,2-trifluorethyl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-{3-[2-{[(2R)-1-Hydroxy-2-propanyl]amino}-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl}-3-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S)-N-{3-[2-{[(2R)-1-Hydroxy-2-propanyl]amino}-6-(4-morpholinyl)-4-pyridinyl]-4-méthylphényl}-3-(2,2,2-trifluoroéthyl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, N-[3-[2-[[(1R)-2-hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)-, (3S)- [ACD/Index Name]
2639957-39-2 [RN]
exarafenib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 104.89
ACD/KOC (pH 5.5): 761.77
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 243.77
ACD/KOC (pH 7.4): 1770.50
Polar Surface Area: 90 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 400.8±3.0 cm3

Click to predict properties on the Chemicalize site


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