ChemSpider 2D Image | N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]-3-pyrrolidinyl}-2-{1-[(3-methyl-1-oxido-2-pyridinyl)carbonyl]-4-piperidinylidene}acetamide | C29H31FN4O3

N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]-3-pyrrolidinyl}-2-{1-[(3-methyl-1-oxido-2-pyridinyl)carbonyl]-4-piperidinylidene}acetamide

  • Molecular FormulaC29H31FN4O3
  • Average mass502.580 Da
  • Monoisotopic mass502.238007 Da
  • ChemSpider ID9780548

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(3R)-1-[(6-fluoro-2-naphthalenyl)methyl]-3-pyrrolidinyl]-2-[1-[(3-methyl-1-oxido-2-pyridinyl)carbonyl]-4-piperidinylidene]- [ACD/Index Name]
N-{(3R)-1-[(6-Fluor-2-naphthyl)methyl]-3-pyrrolidinyl}-2-{1-[(3-methyl-1-oxido-2-pyridinyl)carbonyl]-4-piperidinyliden}acetamid [German] [ACD/IUPAC Name]
N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]-3-pyrrolidinyl}-2-{1-[(3-methyl-1-oxido-2-pyridinyl)carbonyl]-4-piperidinylidene}acetamide [ACD/IUPAC Name]
N-{(3R)-1-[(6-Fluoro-2-naphtyl)méthyl]-3-pyrrolidinyl}-2-{1-[(3-méthyl-1-oxydo-2-pyridinyl)carbonyl]-4-pipéridinylidène}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 438.0±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.22
Polar Surface Area: 78 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 387.2±7.0 cm3

Click to predict properties on the Chemicalize site


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