ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-{5-[1-(methylamino)-2-(methylsulfonyl)ethyl]-2-furyl}-4-quinazolinamine | C29H26ClFN4O4S

N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-{5-[1-(methylamino)-2-(methylsulfonyl)ethyl]-2-furyl}-4-quinazolinamine

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID58120578

More details:

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

4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[1-(methylamino)-2-(methylsulfonyl)ethyl]-2-furanyl]- [ACD/Index Name]
N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-{5-[1-(methylamino)-2-(methylsulfonyl)ethyl]-2-furyl}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-{5-[1-(methylamino)-2-(methylsulfonyl)ethyl]-2-furyl}-4-quinazolinamine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-{5-[1-(méthylamino)-2-(méthylsulfonyl)éthyl]-2-furyl}-4-quinazolinamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344210/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 308.45
ACD/KOC (pH 5.5): 989.68
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4004.80
ACD/KOC (pH 7.4): 12849.91
Polar Surface Area: 115 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 421.4±3.0 cm3

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