ChemSpider 2D Image | 4-Methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | C25H24N4O3S

4-Methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide

  • Molecular FormulaC25H24N4O3S
  • Average mass460.548 Da
  • Monoisotopic mass460.156921 Da
  • ChemSpider ID25057100

More details:






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

4-Methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamid [German] [ACD/IUPAC Name]
4-Methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide [ACD/IUPAC Name]
4-Méthoxy-N-phényl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylméthyl)sulfanyl]propanoyl}amino)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methoxy-3-[[1-oxo-3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)thio]propyl]amino]-N-phenyl- [ACD/Index Name]
AK6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.5±31.5 °C
Index of Refraction: 1.721
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 554.82
ACD/KOC (pH 5.5): 3061.31
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 650.74
ACD/KOC (pH 7.4): 3590.59
Polar Surface Area: 121 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

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