ChemSpider 2D Image | N-(3-Fluorophenyl)-2-(3-{[7-(3-{[1-(hydroxymethyl)cyclopentyl]amino}propoxy)-6-methoxy-4-quinazolinyl]amino}-1H-pyrazol-5-yl)acetamide | C29H34FN7O4

N-(3-Fluorophenyl)-2-(3-{[7-(3-{[1-(hydroxymethyl)cyclopentyl]amino}propoxy)-6-methoxy-4-quinazolinyl]amino}-1H-pyrazol-5-yl)acetamide

  • Molecular FormulaC29H34FN7O4
  • Average mass563.623 Da
  • Monoisotopic mass563.265625 Da
  • ChemSpider ID8465243

More details:

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

1H-Pyrazole-5-acetamide, N-(3-fluorophenyl)-3-[[7-[3-[[1-(hydroxymethyl)cyclopentyl]amino]propoxy]-6-methoxy-4-quinazolinyl]amino]- [ACD/Index Name]
N-(3-Fluorophenyl)-2-(3-{[7-(3-{[1-(hydroxymethyl)cyclopentyl]amino}propoxy)-6-methoxy-4-quinazolinyl]amino}-1H-pyrazol-5-yl)acetamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-2-(3-{[7-(3-{[1-(hydroxyméthyl)cyclopentyl]amino}propoxy)-6-méthoxy-4-quinazolinyl]amino}-1H-pyrazol-5-yl)acétamide [French] [ACD/IUPAC Name]
N-(3-Fluorphenyl)-2-(3-{[7-(3-{[1-(hydroxymethyl)cyclopentyl]amino}propoxy)-6-methoxy-4-chinazolinyl]amino}-1H-pyrazol-5-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: 836.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.0±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 13.38
Polar Surface Area: 146 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 409.0±5.0 cm3

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