ChemSpider 2D Image | Methyl (2S,4S)-3-benzoyl-6-methoxy-2-(2-methyl-2-propanyl)-2,3,4,5-tetrahydro-4-pyrimidinecarboxylate | C18H24N2O4

Methyl (2S,4S)-3-benzoyl-6-methoxy-2-(2-methyl-2-propanyl)-2,3,4,5-tetrahydro-4-pyrimidinecarboxylate

  • Molecular FormulaC18H24N2O4
  • Average mass332.394 Da
  • Monoisotopic mass332.173615 Da
  • ChemSpider ID24731473

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-3-Benzoyl-6-méthoxy-2-(2-méthyl-2-propanyl)-2,3,4,5-tétrahydro-4-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Pyrimidinecarboxylic acid, 3-benzoyl-2-(1,1-dimethylethyl)-2,3,4,5-tetrahydro-6-methoxy-, methyl ester, (2S,4S)- [ACD/Index Name]
Methyl (2S,4S)-3-benzoyl-6-methoxy-2-(2-methyl-2-propanyl)-2,3,4,5-tetrahydro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-(2S,4S)-3-benzoyl-6-methoxy-2-(2-methyl-2-propanyl)-2,3,4,5-tetrahydro-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 447.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.2±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.50
ACD/KOC (pH 5.5): 280.19
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.69
ACD/KOC (pH 7.4): 283.07
Polar Surface Area: 68 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 289.4±7.0 cm3

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