ChemSpider 2D Image | 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-{2-[(2-oxo-1,3-dihydro-1,3-benzodiazol-5-yl)oxy]-1-phenylethyl}pyridine-3-carboxamide | C28H22F2N4O4

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-{2-[(2-oxo-1,3-dihydro-1,3-benzodiazol-5-yl)oxy]-1-phenylethyl}pyridine-3-carboxamide

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID30922912

More details:

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

1-(3,4-Difluorbenzyl)-2-oxo-N-{2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
1-(3,4-Difluorobenzyl)-2-oxo-N-{2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
1-(3,4-Difluorobenzyl)-2-oxo-N-{2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phényléthyl}-1,2-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-{2-[(2-oxo-1,3-dihydro-1,3-benzodiazol-5-yl)oxy]-1-phenylethyl}pyridine-3-carboxamide
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-{2-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide
1001409-50-2 [RN]
3-Pyridinecarboxamide, 1-[(3,4-difluorophenyl)methyl]-N-[2-[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)oxy]-1-phenylethyl]-1,2-dihydro-2-oxo- [ACD/Index Name]
MP7
PDK1 inhibitor
PDK1 inhibitor, 7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.79
ACD/KOC (pH 5.5): 681.46
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.77
ACD/KOC (pH 7.4): 681.31
Polar Surface Area: 100 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 369.4±3.0 cm3

Click to predict properties on the Chemicalize site


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