ChemSpider 2D Image | SELATINIB | C29H26ClFN4O3S

SELATINIB

  • Molecular FormulaC29H26ClFN4O3S
  • Average mass565.058 Da
  • Monoisotopic mass564.139832 Da
  • ChemSpider ID30841488

More details:






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

1275595-86-2 [RN]
4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfinyl)ethyl]amino]methyl]-2-furanyl]- [ACD/Index Name]
6TLR8U8O3C
N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfinyl)ethyl]amino}methyl)-2-furyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfinyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-[5-({[2-(méthylsulfinyl)éthyl]amino}méthyl)-2-furyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
SELATINIB
UNII:6TLR8U8O3C
MFCD28502047
N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfinyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 401.6±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 17.82
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 479.59
ACD/KOC (pH 7.4): 1496.14
Polar Surface Area: 108 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 409.1±3.0 cm3

Click to predict properties on the Chemicalize site






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