ChemSpider 2D Image | Nalpha-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(4-ethoxyphenyl)phenylalaninamide | C25H27ClN4O3S

Nα-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(4-ethoxyphenyl)phenylalaninamide

  • Molecular FormulaC25H27ClN4O3S
  • Average mass499.025 Da
  • Monoisotopic mass498.149231 Da
  • ChemSpider ID25957670

More details:

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

4-Pyrimidinecarboxamide, 5-chloro-N-[2-[(4-ethoxyphenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-2-(propylthio)- [ACD/Index Name]
Nα-{[5-Chlor-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(4-ethoxyphenyl)phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(4-ethoxyphenyl)phenylalaninamide [ACD/IUPAC Name]
Nα-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(4-éthoxyphényl)phénylalaninamide [French] [ACD/IUPAC Name]
2-{[5-chloro-2-(propylsulfanyl)pyrimidin-4-yl]formamido}-N-(4-ethoxyphenyl)-3-phenylpropanamide
5-chloro-N-[1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide
Nα-{[5-chloro-2-(propylsulfanyl)pyrimidin-4-yl]carbonyl}-N-(4-ethoxyphenyl)phenylalaninamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2913.08
ACD/KOC (pH 5.5): 10504.25
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2900.47
ACD/KOC (pH 7.4): 10458.79
Polar Surface Area: 119 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

Click to predict properties on the Chemicalize site


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