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Search term: LQQZIJDSGYXEEJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2,3-Difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1H-pyrazol-5-yl}acetamide | C29H34F2N8O4

N-(2,3-Difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1H-pyrazol-5-yl}acetamide

  • Molecular FormulaC29H34F2N8O4
  • Average mass596.628 Da
  • Monoisotopic mass596.267090 Da
  • ChemSpider ID8328742

More details:

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

1H-Pyrazole-5-acetamide, N-(2,3-difluorophenyl)-3-[[7-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy]-6-methoxy-4-quinazolinyl]amino]- [ACD/Index Name]
N-(2,3-Difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1H-pyrazol-5-yl}acetamide [ACD/IUPAC Name]
N-(2,3-Difluorophényl)-2-{3-[(7-{3-[4-(2-hydroxyéthyl)-1-pipérazinyl]propoxy}-6-méthoxy-4-quinazolinyl)amino]-1H-pyrazol-5-yl}acétamide [French] [ACD/IUPAC Name]
N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide
N-(2,3-Difluorphenyl)-2-{3-[(7-{3-[4-(2-hydroxyethyl)-1-piperazinyl]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: 848.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 467.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 15.93
ACD/KOC (pH 7.4): 220.72
Polar Surface Area: 141 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 430.5±3.0 cm3

Click to predict properties on the Chemicalize site


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