ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorophenoxy)methyl]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine | C29H26ClFN4O4S

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

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID30782631

More details:

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

4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenoxy)methyl]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]- [ACD/Index Name]
N-{3-Chlor-4-[(3-fluorphenoxy)methyl]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorophenoxy)methyl]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorophénoxy)méthyl]phényl}-6-[5-({[2-(méthylsulfonyl)éthyl]amino}méthyl)-2-furyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
Lapatinib [INN] [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 402.9±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: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 537.18
ACD/KOC (pH 5.5): 1501.64
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6526.09
ACD/KOC (pH 7.4): 18243.03
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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