ChemSpider 2D Image | Ethyl N-{[5-(cyclooctylcarbamoyl)-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-beta-alaninate | C25H37N3O6

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

  • Molecular FormulaC25H37N3O6
  • Average mass475.578 Da
  • Monoisotopic mass475.268250 Da
  • ChemSpider ID22192977

More details:

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

Ethyl N-{[5-(cyclooctylcarbamoyl)-4-oxo-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3-pyridinyl]carbonyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-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 d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[5-[(cyclooctylamino)carbonyl]-1,4-dihydro-4-oxo-1-[(tetrahydro-2-furanyl)methyl]-3-pyridinyl]carbonyl]-, ethyl ester [ACD/Index Name]
ETHYL 3-{[5-(CYCLOOCTYLCARBAMOYL)-4-OXO-1-(OXOLAN-2-YLMETHYL)PYRIDIN-3-YL]FORMAMIDO}PROPANOATE
ethyl 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: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.34
ACD/KOC (pH 5.5): 115.46
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.34
ACD/KOC (pH 7.4): 115.42
Polar Surface Area: 114 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 390.5±5.0 cm3

Click to predict properties on the Chemicalize site


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