ChemSpider 2D Image | 2-({(2R)-1-[6-Oxo-5-(trifluoromethyl)hexahydro-4-pyridazinyl]-2-pyrrolidinyl}methoxy)-N-[4-(2-pyridinyloxy)cyclohexyl]acetamide | C23H32F3N5O4

2-({(2R)-1-[6-Oxo-5-(trifluoromethyl)hexahydro-4-pyridazinyl]-2-pyrrolidinyl}methoxy)-N-[4-(2-pyridinyloxy)cyclohexyl]acetamide

  • Molecular FormulaC23H32F3N5O4
  • Average mass499.526 Da
  • Monoisotopic mass499.240631 Da
  • ChemSpider ID129122168

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

2-({(2R)-1-[6-Oxo-5-(trifluormethyl)hexahydro-4-pyridazinyl]-2-pyrrolidinyl}methoxy)-N-[4-(2-pyridinyloxy)cyclohexyl]acetamid [German] [ACD/IUPAC Name]
2-({(2R)-1-[6-Oxo-5-(trifluoromethyl)hexahydro-4-pyridazinyl]-2-pyrrolidinyl}methoxy)-N-[4-(2-pyridinyloxy)cyclohexyl]acetamide [ACD/IUPAC Name]
2-({(2R)-1-[6-Oxo-5-(trifluorométhyl)hexahydro-4-pyridazinyl]-2-pyrrolidinyl}méthoxy)-N-[4-(2-pyridinyloxy)cyclohexyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(2R)-1-[hexahydro-6-oxo-5-(trifluoromethyl)-4-pyridazinyl]-2-pyrrolidinyl]methoxy]-N-[4-(2-pyridinyloxy)cyclohexyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.7±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.15
ACD/KOC (pH 7.4): 66.52
Polar Surface Area: 105 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement