ChemSpider 2D Image | N-(3-Fluorophenyl)-2-{4-[(6-methoxy-7-{3-[methyl(propyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acetamide | C27H32FN7O3

N-(3-Fluorophenyl)-2-{4-[(6-methoxy-7-{3-[methyl(propyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acetamide

  • Molecular FormulaC27H32FN7O3
  • Average mass521.586 Da
  • Monoisotopic mass521.255066 Da
  • ChemSpider ID9435966

More details:

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

1H-Pyrazole-1-acetamide, N-(3-fluorophenyl)-4-[[6-methoxy-7-[3-(methylpropylamino)propoxy]-4-quinazolinyl]amino]- [ACD/Index Name]
N-(3-Fluorophenyl)-2-{4-[(6-methoxy-7-{3-[methyl(propyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acetamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-2-{4-[(6-méthoxy-7-{3-[méthyl(propyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acétamide [French] [ACD/IUPAC Name]
N-(3-Fluorphenyl)-2-{4-[(6-methoxy-7-{3-[methyl(propyl)amino]propoxy}-4-chinazolinyl)amino]-1H-pyrazol-1-yl}acetamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.79
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 18.75
Polar Surface Area: 106 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 408.2±7.0 cm3

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