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

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

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID78515141

More details:

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

4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]phenyl]- [ACD/Index Name]
N-{3-Chlor-4-[(3-fluorbenzyl)oxy]-5-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]phenyl}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]-5-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]phenyl}-4-quinazolinamine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]-5-[5-({[2-(méthylsulfonyl)éthyl]amino}méthyl)-2-furyl]phényl}-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: 729.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.9±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: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 113.68
ACD/KOC (pH 5.5): 441.99
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2001.06
ACD/KOC (pH 7.4): 7779.99
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

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