ChemSpider 2D Image | 4-({[4-(Diethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-[2-(4-morpholinyl)ethyl]benzamide | C23H30F3N5O2S

4-({[4-(Diethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-[2-(4-morpholinyl)ethyl]benzamide

  • Molecular FormulaC23H30F3N5O2S
  • Average mass497.577 Da
  • Monoisotopic mass497.207245 Da
  • ChemSpider ID21564614

More details:

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

4-({[4-(Diethylamino)-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-[2-(4-morpholinyl)ethyl]benzamid [German] [ACD/IUPAC Name]
4-({[4-(Diethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-[2-(4-morpholinyl)ethyl]benzamide [ACD/IUPAC Name]
4-({[4-(Diéthylamino)-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}méthyl)-N-[2-(4-morpholinyl)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[[4-(diethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-N-[2-(4-morpholinyl)ethyl]- [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: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 25.31
ACD/KOC (pH 5.5): 159.44
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 342.98
ACD/KOC (pH 7.4): 2160.45
Polar Surface Area: 96 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 379.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement