ChemSpider 2D Image | 2-(Diethylamino)-3-(4-methylphenyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | C21H21N3OS

2-(Diethylamino)-3-(4-methylphenyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC21H21N3OS
  • Average mass363.476 Da
  • Monoisotopic mass363.140533 Da
  • ChemSpider ID21125974

More details:

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

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 2-(diethylamino)-3-(4-methylphenyl)- [ACD/Index Name]
2-(Diethylamino)-3-(4-methylphenyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-(Diethylamino)-3-(4-methylphenyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-(Diéthylamino)-3-(4-méthylphényl)[1]benzothiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±30.7 °C
Index of Refraction: 1.663
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3471.28
ACD/KOC (pH 5.5): 11908.96
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3471.37
ACD/KOC (pH 7.4): 11909.27
Polar Surface Area: 64 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 292.0±7.0 cm3

Click to predict properties on the Chemicalize site


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