ChemSpider 2D Image | 1-[6-(4-Ethylphenoxy)-4-pyrimidinyl]-N-(4-propoxybenzyl)-4-piperidinecarboxamide | C28H34N4O3

1-[6-(4-Ethylphenoxy)-4-pyrimidinyl]-N-(4-propoxybenzyl)-4-piperidinecarboxamide

  • Molecular FormulaC28H34N4O3
  • Average mass474.595 Da
  • Monoisotopic mass474.263092 Da
  • ChemSpider ID27316008

More details:

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

1-[6-(4-Ethylphenoxy)-4-pyrimidinyl]-N-(4-propoxybenzyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[6-(4-Ethylphenoxy)-4-pyrimidinyl]-N-(4-propoxybenzyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[6-(4-Éthylphénoxy)-4-pyrimidinyl]-N-(4-propoxybenzyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[6-(4-ethylphenoxy)-4-pyrimidinyl]-N-[(4-propoxyphenyl)methyl]- [ACD/Index Name]
1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-(4-propoxybenzyl)piperidine-4-carboxamide
1-[6-(4-ETHYLPHENOXY)PYRIMIDIN-4-YL]-N-[(4-PROPOXYPHENYL)METHYL]PIPERIDINE-4-CARBOXAMIDE
1-[6-(4-Ethyl-phenoxy)-pyrimidin-4-yl]-piperidine-4-carboxylic acid 4-propoxy-benzylamide
1351808-30-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1315.20
ACD/KOC (pH 5.5): 3950.01
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5325.87
ACD/KOC (pH 7.4): 15995.44
Polar Surface Area: 77 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 409.3±3.0 cm3

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