ChemSpider 2D Image | N-[2-(2,6-Dichlorophenyl)-2-methylpropyl]-3-[4,6-dimethyl-2-(methylsulfanyl)-5-pyrimidinyl]propanamide | C20H25Cl2N3OS

N-[2-(2,6-Dichlorophenyl)-2-methylpropyl]-3-[4,6-dimethyl-2-(methylsulfanyl)-5-pyrimidinyl]propanamide

  • Molecular FormulaC20H25Cl2N3OS
  • Average mass426.403 Da
  • Monoisotopic mass425.109528 Da
  • ChemSpider ID31841979

More details:

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

5-Pyrimidinepropanamide, N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4,6-dimethyl-2-(methylthio)- [ACD/Index Name]
N-[2-(2,6-Dichlorophenyl)-2-methylpropyl]-3-[4,6-dimethyl-2-(methylsulfanyl)-5-pyrimidinyl]propanamide [ACD/IUPAC Name]
N-[2-(2,6-Dichlorophényl)-2-méthylpropyl]-3-[4,6-diméthyl-2-(méthylsulfanyl)-5-pyrimidinyl]propanamide [French] [ACD/IUPAC Name]
N-[2-(2,6-Dichlorphenyl)-2-methylpropyl]-3-[4,6-dimethyl-2-(methylsulfanyl)-5-pyrimidinyl]propanamid [German] [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: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9178.86
ACD/KOC (pH 5.5): 23880.43
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9187.05
ACD/KOC (pH 7.4): 23901.76
Polar Surface Area: 80 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 338.5±5.0 cm3

Click to predict properties on the Chemicalize site


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