ChemSpider 2D Image | YM-355179 | C29H31FN4O3

YM-355179

  • Molecular FormulaC29H31FN4O3
  • Average mass502.580 Da
  • Monoisotopic mass502.238007 Da
  • ChemSpider ID9731087
  • 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-hydroxy-5-methyl-2-pyridinyl)carbonyl]-4-piperidinylidene]- [ACD/Index Name]
N-{(3R)-1-[(6-Fluor-2-naphthyl)methyl]-3-pyrrolidinyl}-2-{1-[(3-hydroxy-5-methyl-2-pyridinyl)carbonyl]-4-piperidinyliden}acetamid [German] [ACD/IUPAC Name]
N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]-3-pyrrolidinyl}-2-{1-[(3-hydroxy-5-methyl-2-pyridinyl)carbonyl]-4-piperidinylidene}acetamide [ACD/IUPAC Name]
N-{(3R)-1-[(6-Fluoro-2-naphtyl)méthyl]-3-pyrrolidinyl}-2-{1-[(3-hydroxy-5-méthyl-2-pyridinyl)carbonyl]-4-pipéridinylidène}acétamide [French] [ACD/IUPAC Name]
YM-355179
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methylpyridine-2-carbonyl)piperidin-4-ylidene]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 815.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 446.8±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 9.95
Polar Surface Area: 86 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 374.8±5.0 cm3

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