ChemSpider 2D Image | N-{(3R,4S)-1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-3-methyl-4-piperidinyl}-N-[2-fluoro(4-~3~H)phenyl]-2-methoxyacetamide | C20H28TFN6O3

N-{(3R,4S)-1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-3-methyl-4-piperidinyl}-N-[2-fluoro(4-3H)phenyl]-2-methoxyacetamide

  • Molecular FormulaC20H28TFN6O3
  • Average mass422.489 Da
  • Monoisotopic mass422.236755 Da
  • ChemSpider ID8916246

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acetamide, N-[(3R,4S)-1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-3-methyl-4-piperidinyl]-N-(2-fluorophenyl-4-t)-2-methoxy- [ACD/Index Name]
N-{(3R,4S)-1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-3-methyl-4-piperidinyl}-N-[2-fluor(4-3H)phenyl]-2-methoxyacetamid [German] [ACD/IUPAC Name]
N-{(3R,4S)-1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-3-methyl-4-piperidinyl}-N-[2-fluoro(4-3H)phenyl]-2-methoxyacetamide [ACD/IUPAC Name]
N-{(3R,4S)-1-[2-(4-Éthyl-5-oxo-4,5-dihydro-1H-tétrazol-1-yl)éthyl]-3-méthyl-4-pipéridinyl}-N-[2-fluoro(4-3H)phényl]-2-méthoxyacétamide [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 515.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 65.24
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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