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

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

  • Molecular FormulaC32H27F4N5O3
  • Average mass605.582 Da
  • Monoisotopic mass605.205017 Da
  • ChemSpider ID110803470

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[4-Fluor-3-(trifluormethyl)phenyl]-N-[(1R)-1-{3-[4-(methoxymethyl)phenyl]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl}ethyl]-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[4-Fluoro-3-(trifluoromethyl)phenyl]-N-[(1R)-1-{3-[4-(methoxymethyl)phenyl]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl}ethyl]-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
2-[4-Fluoro-3-(trifluorométhyl)phényl]-N-[(1R)-1-{3-[4-(méthoxyméthyl)phényl]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl}éthyl]-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[(1R)-1-[3,4-dihydro-3-[4-(methoxymethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)- [ACD/Index 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: 740.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±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: 2.75
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 208.79
ACD/KOC (pH 5.5): 1566.12
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.20
ACD/KOC (pH 7.4): 1659.24
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


Advertisement