ChemSpider 2D Image | (4-{[6-(1-Benzothiophen-2-yl)-4-quinazolinyl]amino}phenyl)acetonitrile | C24H16N4S

(4-{[6-(1-Benzothiophen-2-yl)-4-quinazolinyl]amino}phenyl)acetonitrile

  • Molecular FormulaC24H16N4S
  • Average mass392.476 Da
  • Monoisotopic mass392.109558 Da
  • ChemSpider ID76815132

More details:

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

(4-{[6-(1-Benzothiophen-2-yl)-4-chinazolinyl]amino}phenyl)acetonitril [German] [ACD/IUPAC Name]
(4-{[6-(1-Benzothiophen-2-yl)-4-quinazolinyl]amino}phenyl)acetonitrile [ACD/IUPAC Name]
(4-{[6-(1-Benzothiophén-2-yl)-4-quinazolinyl]amino}phényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 4-[(6-benzo[b]thien-2-yl-4-quinazolinyl)amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.761
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 5888.62
ACD/KOC (pH 5.5): 14296.28
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11574.35
ACD/KOC (pH 7.4): 28099.96
Polar Surface Area: 90 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 291.1±3.0 cm3

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