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Search term: JLBXEVHWZFQSBL-UHFFFAOYSA-N (Found by InChIKey (full match))

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

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

  • Molecular FormulaC29H34FN7O4
  • Average mass563.623 Da
  • Monoisotopic mass563.265625 Da
  • ChemSpider ID8350601

More details:






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

1H-Pyrazole-5-acetamide, N-(3-fluorophenyl)-3-[[7-[3-[4-(hydroxymethyl)-1-piperidinyl]propoxy]-6-methoxy-4-quinazolinyl]amino]- [ACD/Index Name]
N-(3-Fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)-1-piperidinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1H-pyrazol-5-yl}acetamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-2-{3-[(7-{3-[4-(hydroxyméthyl)-1-pipéridinyl]propoxy}-6-méthoxy-4-quinazolinyl)amino]-1H-pyrazol-5-yl}acétamide [French] [ACD/IUPAC Name]
N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide
N-(3-Fluorphenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)-1-piperidinyl]propoxy}-6-methoxy-4-chinazolinyl)amino]-1H-pyrazol-5-yl}acetamid [German] [ACD/IUPAC Name]
N-3-fluorophenyl)-2-3-7-3-4-hydroxymethyl)piperidin-1-yl)propoxy)-6-methoxyquinazolin-4-ylamino)-1H-pyrazol-5-yl)acetamide
pyrazoloquinazoline deriv., 8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 830.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 455.9±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 40.59
Polar Surface Area: 138 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 418.7±3.0 cm3

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