ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{1-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C30H38N4O4

2-Methyl-2-propanyl 4-{1-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID13139233

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(3,4-dimethylphenyl)-4-[[(4-ethoxyphenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{1-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{1-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{1-(3,4-Diméthylphényl)-4-[(4-éthoxyphényl)carbamoyl]-1H-pyrazol-5-yl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8144.65
ACD/KOC (pH 5.5): 21927.38
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8144.96
ACD/KOC (pH 7.4): 21928.20
Polar Surface Area: 86 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 439.5±7.0 cm3

Click to predict properties on the Chemicalize site


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