ChemSpider 2D Image | {({5-[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-6-quinazolinyl]-2-furyl}methyl)[2-(methylsulfonyl)ethyl]amino}acetonitrile | C31H27ClFN5O4S

{({5-[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-6-quinazolinyl]-2-furyl}methyl)[2-(methylsulfonyl)ethyl]amino}acetonitrile

  • Molecular FormulaC31H27ClFN5O4S
  • Average mass620.094 Da
  • Monoisotopic mass619.145630 Da
  • ChemSpider ID8049538

More details:

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

{({5-[4-({3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}amino)-6-chinazolinyl]-2-furyl}methyl)[2-(methylsulfonyl)ethyl]amino}acetonitril [German] [ACD/IUPAC Name]
{({5-[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-6-quinazolinyl]-2-furyl}methyl)[2-(methylsulfonyl)ethyl]amino}acetonitrile [ACD/IUPAC Name]
{({5-[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}amino)-6-quinazolinyl]-2-furyl}méthyl)[2-(méthylsulfonyl)éthyl]amino}acétonitrile [French] [ACD/IUPAC Name]
{({5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)[2-(methylsulfonyl)ethyl]amino}acetonitrile
Acetonitrile, 2-[[[5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furanyl]methyl][2-(methylsulfonyl)ethyl]amino]- [ACD/Index Name]
2-(((5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)furan-2-yl)methyl)(2-(methylsulfonyl)ethyl)amino)acetonitrile
CHEMBL384407
GW616030X
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384407/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 797.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.9±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 3524.42
ACD/KOC (pH 5.5): 9852.40
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7044.04
ACD/KOC (pH 7.4): 19691.36
Polar Surface Area: 130 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

Click to predict properties on the Chemicalize site


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