ChemSpider 2D Image | N-[3-Cyano-4-{3-[(N,N-dimethyl-beta-alanyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-furamide | C28H24FN5O4

N-[3-Cyano-4-{3-[(N,N-dimethyl-β-alanyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-furamide

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID25047449

More details:

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

2-Furancarboxamide, N-[3-cyano-4-[3-[[3-(dimethylamino)-1-oxopropyl]amino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]- [ACD/Index Name]
N-[3-Cyan-4-{3-[(N,N-dimethyl-β-alanyl)amino]phenyl}-6-(4-fluor-2-hydroxyphenyl)-2-pyridinyl]-2-furamid [German] [ACD/IUPAC Name]
N-[3-Cyano-4-{3-[(N,N-dimethyl-β-alanyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-furamide [ACD/IUPAC Name]
N-[3-Cyano-4-{3-[(N,N-diméthyl-β-alanyl)amino]phényl}-6-(4-fluoro-2-hydroxyphényl)-2-pyridinyl]-2-furamide [French] [ACD/IUPAC 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: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 22.84
Polar Surface Area: 131 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 365.9±5.0 cm3

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