ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-{5-[({2-[(~2~H_3_)methylsulfonyl](1,1-~2~H_2_)ethyl}amino)methyl]-2-furyl}-4-quinazolinamine | C29H21D5ClFN4O4S

N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-{5-[({2-[(2H3)methylsulfonyl](1,1-2H2)ethyl}amino)methyl]-2-furyl}-4-quinazolinamine

  • Molecular FormulaC29H21D5ClFN4O4S
  • Average mass586.088 Da
  • Monoisotopic mass585.166138 Da
  • ChemSpider ID110404697

  • Non-standard isotope - Non-standard isotope

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-[[[2-(methyl-d3-sulfonyl)ethyl-1,1-d2]amino]methyl]-2-furanyl]- [ACD/Index Name]
N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-{5-[({2-[(2H3)methylsulfonyl](1,1-2H2)ethyl}amino)methyl]-2-furyl}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-{5-[({2-[(2H3)methylsulfonyl](1,1-2H2)ethyl}amino)methyl]-2-furyl}-4-quinazolinamine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-{5-[({2-[(2H3)méthylsulfonyl](1,1-2H2)éthyl}amino)méthyl]-2-furyl}-4-quinazolinamine [French] [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: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 385.29
ACD/KOC (pH 5.5): 1159.41
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5026.48
ACD/KOC (pH 7.4): 15125.46
Polar Surface Area: 115 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 420.7±3.0 cm3

Click to predict properties on the Chemicalize site


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