ChemSpider 2D Image | 3-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)-2-methylphenyl]-6-(2-hydroxyethoxy)-2-[(6-methyl-3-pyridinyl)methyl]-4(3H)-quinazolinone | C27H23F6N3O4

3-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)-2-methylphenyl]-6-(2-hydroxyethoxy)-2-[(6-methyl-3-pyridinyl)methyl]-4(3H)-quinazolinone

  • Molecular FormulaC27H23F6N3O4
  • Average mass567.480 Da
  • Monoisotopic mass567.159302 Da
  • ChemSpider ID9390272

More details:

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

3-[4-(1,1,1,3,3,3-Hexafluor-2-hydroxy-2-propanyl)-2-methylphenyl]-6-(2-hydroxyethoxy)-2-[(6-methyl-3-pyridinyl)methyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)-2-methylphenyl]-6-(2-hydroxyethoxy)-2-[(6-methyl-3-pyridinyl)methyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
3-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)-2-méthylphényl]-6-(2-hydroxyéthoxy)-2-[(6-méthyl-3-pyridinyl)méthyl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 6-(2-hydroxyethoxy)-2-[(6-methyl-3-pyridinyl)methyl]-3-[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.3±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 80.69
ACD/KOC (pH 5.5): 602.70
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.07
ACD/KOC (pH 7.4): 1613.94
Polar Surface Area: 95 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 402.7±7.0 cm3

Click to predict properties on the Chemicalize site


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