ChemSpider 2D Image | 5-Bromo-N-(2,4-dimethylphenyl)-2-(propylsulfanyl)-4-pyrimidinecarboxamide | C16H18BrN3OS

5-Bromo-N-(2,4-dimethylphenyl)-2-(propylsulfanyl)-4-pyrimidinecarboxamide

  • Molecular FormulaC16H18BrN3OS
  • Average mass380.303 Da
  • Monoisotopic mass379.035400 Da
  • ChemSpider ID21595561

More details:

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

4-Pyrimidinecarboxamide, 5-bromo-N-(2,4-dimethylphenyl)-2-(propylthio)- [ACD/Index Name]
5-Brom-N-(2,4-dimethylphenyl)-2-(propylsulfanyl)-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
5-Bromo-N-(2,4-dimethylphenyl)-2-(propylsulfanyl)-4-pyrimidinecarboxamide [ACD/IUPAC Name]
5-Bromo-N-(2,4-diméthylphényl)-2-(propylsulfanyl)-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Bromo-N-(2,4-dimethylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-bromo-N-(2,4-dimethylphenyl)-2-propylsulfanylpyrimidine-4-carboxamide
912915-02-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 440.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.0±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1176.39
ACD/KOC (pH 5.5): 5488.93
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1173.98
ACD/KOC (pH 7.4): 5477.68
Polar Surface Area: 80 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 264.4±5.0 cm3

Click to predict properties on the Chemicalize site


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