ChemSpider 2D Image | 4-({[(2R,3S,4S,5R)-3-(3,4-Difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)tetrahydro-2-furanyl]carbonyl}amino)-2-pyridinecarboxamide (non-preferred name) | C21H20F5N3O4

4-({[(2R,3S,4S,5R)-3-(3,4-Difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)tetrahydro-2-furanyl]carbonyl}amino)-2-pyridinecarboxamide (non-preferred name)

  • Molecular FormulaC21H20F5N3O4
  • Average mass473.393 Da
  • Monoisotopic mass473.137390 Da
  • ChemSpider ID128942439

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-({[(2R,3S,4S,5R)-3-(3,4-Difluor-2-methoxyphenyl)-4,5-dimethyl-5-(trifluormethyl)tetrahydro-2-furanyl]carbonyl}amino)-2-pyridincarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
4-({[(2R,3S,4S,5R)-3-(3,4-Difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)tetrahydro-2-furanyl]carbonyl}amino)-2-pyridinecarboxamide (non-preferred name) [ACD/IUPAC Name]
4-({[(2R,3S,4S,5R)-3-(3,4-Difluoro-2-méthoxyphényl)-4,5-diméthyl-5-(trifluorométhyl)tétrahydro-2-furanyl]carbonyl}amino)-2-pyridinecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
2649467-58-1 [RN]
suzetrigine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.7±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.88
ACD/KOC (pH 5.5): 977.69
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.53
ACD/KOC (pH 7.4): 983.68
Polar Surface Area: 104 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 338.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement