ChemSpider 2D Image | 3-Chloro-1-{2-hydroxy-4-methyl-4-[5-(5-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-(5-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 ID9759510

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-(5-pyrimidinyl)-7-benzofuranyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]- [ACD/Index Name]
3-Chlor-1-{2-hydroxy-4-methyl-4-[5-(5-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-(5-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-(5-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: 698.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.3±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: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1463.85
ACD/KOC (pH 5.5): 6416.90
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1465.28
ACD/KOC (pH 7.4): 6423.16
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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