ChemSpider 2D Image | N-{4-[(3-Fluorobenzyl)oxy]-3-(trifluoromethyl)phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine | C30H26F4N4O4S

N-{4-[(3-Fluorobenzyl)oxy]-3-(trifluoromethyl)phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine

  • Molecular FormulaC30H26F4N4O4S
  • Average mass614.610 Da
  • Monoisotopic mass614.161072 Da
  • ChemSpider ID10707434

More details:

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

4-quinazolinamine, N-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]- [ACD/Index Name]
N-{4-[(3-Fluorbenzyl)oxy]-3-(trifluormethyl)phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{4-[(3-Fluorobenzyl)oxy]-3-(trifluoromethyl)phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine [ACD/IUPAC Name]
N-{4-[(3-Fluorobenzyl)oxy]-3-(trifluorométhyl)phényl}-6-[5-({[2-(méthylsulfonyl)éthyl]amino}méthyl)-2-furyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
N-{4-[(3-fluorobenzyl)oxy]-3-(trifluoromethyl)phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine
CHEMBL215814
GW576484X
N-(4-(3-fluorobenzyloxy)-3-(trifluoromethyl)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.3±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 436.39
ACD/KOC (pH 5.5): 1258.41
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5835.16
ACD/KOC (pH 7.4): 16826.90
Polar Surface Area: 115 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 442.2±3.0 cm3

Click to predict properties on the Chemicalize site


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