ChemSpider 2D Image | Ethyl 1-[(1-{1,3-dioxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}-4-piperidinyl)carbonyl]-3-piperidinecarboxylate | C29H37N5O5

Ethyl 1-[(1-{1,3-dioxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}-4-piperidinyl)carbonyl]-3-piperidinecarboxylate

  • Molecular FormulaC29H37N5O5
  • Average mass535.635 Da
  • Monoisotopic mass535.279480 Da
  • ChemSpider ID22148533

More details:

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

1-[(1-{1,3-Dioxo-2-[(1,3,5-triméthyl-1H-pyrazol-4-yl)méthyl]-2,3-dihydro-1H-isoindol-4-yl}-4-pipéridinyl)carbonyl]-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[1-[2,3-dihydro-1,3-dioxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-isoindol-4-yl]-4-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(1-{1,3-dioxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}-4-piperidinyl)carbonyl]-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(1-{1,3-dioxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}-4-piperidinyl)carbonyl]-3-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 723.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.66
ACD/KOC (pH 5.5): 798.57
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.80
ACD/KOC (pH 7.4): 799.96
Polar Surface Area: 105 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 396.1±7.0 cm3

Click to predict properties on the Chemicalize site


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