ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-6-{3-[(4aR,7aS)-hexahydro-6H-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy}-7-methoxy-4-quinazolinamine | C24H26ClFN4O4

N-(3-Chloro-4-fluorophenyl)-6-{3-[(4aR,7aS)-hexahydro-6H-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy}-7-methoxy-4-quinazolinamine

  • Molecular FormulaC24H26ClFN4O4
  • Average mass488.939 Da
  • Monoisotopic mass488.162659 Da
  • ChemSpider ID128922025

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6-[3-[(4aR,7aS)-hexahydro-6H-1,4-dioxino[2,3-c]pyrrol-6-yl]propoxy]-7-methoxy- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-6-{3-[(4aR,7aS)-hexahydro-6H-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy}-7-methoxy-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-6-{3-[(4aR,7aS)-hexahydro-6H-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy}-7-methoxy-4-quinazolinamine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-6-{3-[(4aR,7aS)-hexahydro-6H-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy}-7-méthoxy-4-quinazolinamine [French] [ACD/IUPAC Name]
1438072-11-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 127.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.46
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 59.72
ACD/KOC (pH 7.4): 404.79
Polar Surface Area: 78 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 363.1±3.0 cm3

Click to predict properties on the Chemicalize site


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