ChemSpider 2D Image | Methyl N-{[5-(cyclooctylcarbamoyl)-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-beta-alaninate | C24H35N3O6

Methyl N-{[5-(cyclooctylcarbamoyl)-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-β-alaninate

  • Molecular FormulaC24H35N3O6
  • Average mass461.551 Da
  • Monoisotopic mass461.252594 Da
  • ChemSpider ID23069574

More details:

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

Methyl N-{[5-(cyclooctylcarbamoyl)-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-β-alaninate [ACD/IUPAC Name]
Methyl-N-{[5-(cyclooctylcarbamoyl)-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{[5-(Cyclooctylcarbamoyl)-4-oxo-1-(tétrahydro-2-furanylméthyl)-1,4-dihydro-3-pyridinyl]carbonyl}-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[5-[(cyclooctylamino)carbonyl]-1,4-dihydro-4-oxo-1-[(tetrahydro-2-furanyl)methyl]-3-pyridinyl]carbonyl]-, methyl ester [ACD/Index Name]
methyl N-{[5-[(cyclooctylamino)carbonyl]-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-β-alaninate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.54
ACD/KOC (pH 5.5): 67.76
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 67.71
Polar Surface Area: 114 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 374.4±5.0 cm3

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