ChemSpider 2D Image | 3-Chloro-1-{2-hydroxy-4-methyl-4-[5-(2-pyrimidinyl)-2,3-dihydro-1-benzofuran-7-yl]-2-(trifluoromethyl)pentyl}-1,6-naphthyridin-4(1H)-one | C27H24ClF3N4O3

3-Chloro-1-{2-hydroxy-4-methyl-4-[5-(2-pyrimidinyl)-2,3-dihydro-1-benzofuran-7-yl]-2-(trifluoromethyl)pentyl}-1,6-naphthyridin-4(1H)-one

  • Molecular FormulaC27H24ClF3N4O3
  • Average mass544.953 Da
  • Monoisotopic mass544.148926 Da
  • ChemSpider ID9888378

More details:

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

1,6-Naphthyridin-4(1H)-one, 3-chloro-1-[4-[2,3-dihydro-5-(2-pyrimidinyl)-7-benzofuranyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]- [ACD/Index Name]
3-Chlor-1-{2-hydroxy-4-methyl-4-[5-(2-pyrimidinyl)-2,3-dihydro-1-benzofuran-7-yl]-2-(trifluormethyl)pentyl}-1,6-naphthyridin-4(1H)-on [German] [ACD/IUPAC Name]
3-Chloro-1-{2-hydroxy-4-methyl-4-[5-(2-pyrimidinyl)-2,3-dihydro-1-benzofuran-7-yl]-2-(trifluoromethyl)pentyl}-1,6-naphthyridin-4(1H)-one [ACD/IUPAC Name]
3-Chloro-1-{2-hydroxy-4-méthyl-4-[5-(2-pyrimidinyl)-2,3-dihydro-1-benzofuran-7-yl]-2-(trifluorométhyl)pentyl}-1,6-naphtyridin-4(1H)-one [French] [ACD/IUPAC 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: 629.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.5±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2675.12
ACD/KOC (pH 5.5): 9880.38
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2677.27
ACD/KOC (pH 7.4): 9888.32
Polar Surface Area: 88 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 370.7±5.0 cm3

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