ChemSpider 2D Image | N-Benzyl-N~2~-[2-(4-morpholinyl)ethyl]-N-(2-thienylmethyl)-N~2~-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide | C28H31F3N4O3S

N-Benzyl-N2-[2-(4-morpholinyl)ethyl]-N-(2-thienylmethyl)-N2-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide

  • Molecular FormulaC28H31F3N4O3S
  • Average mass560.631 Da
  • Monoisotopic mass560.206909 Da
  • ChemSpider ID906779

More details:

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

Acetamide, 2-[[2-(4-morpholinyl)ethyl][[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-N-(phenylmethyl)-N-(2-thienylmethyl)- [ACD/Index Name]
N-Benzyl-N2-[2-(4-morpholinyl)ethyl]-N-(2-thienylmethyl)-N2-{[3-(trifluormethyl)phenyl]carbamoyl}glycinamid [German] [ACD/IUPAC Name]
N-Benzyl-N2-[2-(4-morpholinyl)ethyl]-N-(2-thienylmethyl)-N2-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide [ACD/IUPAC Name]
N-Benzyl-N2-[2-(4-morpholinyl)éthyl]-N-(2-thiénylméthyl)-N2-{[3-(trifluorométhyl)phényl]carbamoyl}glycinamide [French] [ACD/IUPAC 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: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 362.56
ACD/KOC (pH 5.5): 1429.50
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2004.34
ACD/KOC (pH 7.4): 7902.72
Polar Surface Area: 93 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 425.7±3.0 cm3

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