ChemSpider 2D Image | 2-[5-(1-Azepanylcarbonyl)-1-(4-fluorobenzyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyridinyl]-N-(cyclohexylmethyl)acetamide | C29H40FN3O3

2-[5-(1-Azepanylcarbonyl)-1-(4-fluorobenzyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyridinyl]-N-(cyclohexylmethyl)acetamide

  • Molecular FormulaC29H40FN3O3
  • Average mass497.645 Da
  • Monoisotopic mass497.305359 Da
  • ChemSpider ID28660768

More details:

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

2-[5-(1-Azepanylcarbonyl)-1-(4-fluorbenzyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyridinyl]-N-(cyclohexylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[5-(1-Azepanylcarbonyl)-1-(4-fluorobenzyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyridinyl]-N-(cyclohexylmethyl)acetamide [ACD/IUPAC Name]
2-[5-(1-Azépanylcarbonyl)-1-(4-fluorobenzyl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-3-pyridinyl]-N-(cyclohexylméthyl)acétamide [French] [ACD/IUPAC Name]
3-Pyridineacetamide, N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-5-[(hexahydro-1H-azepin-1-yl)carbonyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo- [ACD/Index 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: 739.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1386.29
ACD/KOC (pH 5.5): 6173.58
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1386.29
ACD/KOC (pH 7.4): 6173.59
Polar Surface Area: 70 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


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