ChemSpider 2D Image | Nalpha-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(2,3-dimethylphenyl)phenylalaninamide | C25H27ClN4O2S

Nα-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(2,3-dimethylphenyl)phenylalaninamide

  • Molecular FormulaC25H27ClN4O2S
  • Average mass483.026 Da
  • Monoisotopic mass482.154327 Da
  • ChemSpider ID25957786

More details:

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

4-Pyrimidinecarboxamide, 5-chloro-N-[2-[(2,3-dimethylphenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-2-(propylthio)- [ACD/Index Name]
Nα-{[5-Chlor-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(2,3-dimethylphenyl)phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(2,3-dimethylphenyl)phenylalaninamide [ACD/IUPAC Name]
Nα-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-N-(2,3-diméthylphényl)phénylalaninamide [French] [ACD/IUPAC Name]
2-{[5-chloro-2-(propylsulfanyl)pyrimidin-4-yl]formamido}-N-(2,3-dimethylphenyl)-3-phenylpropanamide
5-chloro-N-[1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide
Nα-{[5-chloro-2-(propylsulfanyl)pyrimidin-4-yl]carbonyl}-N-(2,3-dimethylphenyl)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: 714.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.0±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9604.98
ACD/KOC (pH 5.5): 24674.46
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9562.86
ACD/KOC (pH 7.4): 24566.28
Polar Surface Area: 109 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 374.7±5.0 cm3

Click to predict properties on the Chemicalize site


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