ChemSpider 2D Image | 6-(4-Bromo-2-fluorophenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2-methylpyrido[3,2-d]pyrimidin-4(3H)-one | C23H26BrFN4O2

6-(4-Bromo-2-fluorophenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2-methylpyrido[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC23H26BrFN4O2
  • Average mass489.380 Da
  • Monoisotopic mass488.122314 Da
  • ChemSpider ID28497985

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-(4-Brom-2-fluorphenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2-methylpyrido[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
6-(4-Bromo-2-fluorophenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2-methylpyrido[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-(4-Bromo-2-fluorophénoxy)-3-{[(3S)-1-isopropyl-3-pipéridinyl]méthyl}-2-méthylpyrido[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Pyrido[3,2-d]pyrimidin-4(3H)-one, 6-(4-bromo-2-fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 564.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.5±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 58 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

Click to predict properties on the Chemicalize site


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