ChemSpider 2D Image | N-(3-Fluorophenyl)-2-{4-[(7-{3-[4-(hydroxymethyl)-1-piperidinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acetamide | C29H34FN7O4

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

  • Molecular FormulaC29H34FN7O4
  • Average mass563.623 Da
  • Monoisotopic mass563.265625 Da
  • ChemSpider ID9505437

More details:

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

1H-Pyrazole-1-acetamide, N-(3-fluorophenyl)-4-[[7-[3-[4-(hydroxymethyl)-1-piperidinyl]propoxy]-6-methoxy-4-quinazolinyl]amino]- [ACD/Index Name]
N-(3-Fluorophenyl)-2-{4-[(7-{3-[4-(hydroxymethyl)-1-piperidinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acetamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-2-{4-[(7-{3-[4-(hydroxyméthyl)-1-pipéridinyl]propoxy}-6-méthoxy-4-quinazolinyl)amino]-1H-pyrazol-1-yl}acétamide [French] [ACD/IUPAC Name]
N-(3-Fluorphenyl)-2-{4-[(7-{3-[4-(hydroxymethyl)-1-piperidinyl]propoxy}-6-methoxy-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: 1.4±0.1 g/cm3
Boiling Point: 793.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.5±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 4.73
ACD/KOC (pH 7.4): 41.67
Polar Surface Area: 127 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 410.7±7.0 cm3

Click to predict properties on the Chemicalize site


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