ChemSpider 2D Image | N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(3-pyridinylmethyl)acetamide | C32H27F4N5O3

N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(3-pyridinylmethyl)acetamide

  • Molecular FormulaC32H27F4N5O3
  • Average mass605.582 Da
  • Monoisotopic mass605.205017 Da
  • ChemSpider ID24676899
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzeneacetamide, N-[(1R)-1-[3-(4-ethoxyphenyl)-3,4-dihydro-4-oxopyrido[3,4-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)- [ACD/Index Name]
N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-2-[4-fluor-3-(trifluormethyl)phenyl]-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-Éthoxyphényl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl]éthyl}-2-[4-fluoro-3-(trifluorométhyl)phényl]-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±35.7 °C
Index of Refraction: 1.605
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 320.37
ACD/KOC (pH 5.5): 2128.18
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.20
ACD/KOC (pH 7.4): 2253.26
Polar Surface Area: 88 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 456.1±7.0 cm3

Click to predict properties on the Chemicalize site






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