ChemSpider 2D Image | 1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one | C34H34F2N4O6

1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H34F2N4O6
  • Average mass632.654 Da
  • Monoisotopic mass632.244629 Da
  • ChemSpider ID117937308

More details:

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

1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(2,4-difluorbenzoyl)-3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-{3-méthoxy-4-[2-(4-morpholinyl)éthoxy]phényl}-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[3-(1H-benzimidazol-2-yl)propyl]-4-(2,4-difluorobenzoyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-[2-(4-morpholinyl)ethoxy]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: 860.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 474.4±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 165.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 117 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 461.7±3.0 cm3

Click to predict properties on the Chemicalize site


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