ChemSpider 2D Image | 2-[(2-Methyl-2-propanyl)amino]-3-phenyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | C20H19N3OS

2-[(2-Methyl-2-propanyl)amino]-3-phenyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC20H19N3OS
  • Average mass349.449 Da
  • Monoisotopic mass349.124878 Da
  • ChemSpider ID21125896

More details:

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

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 2-[(1,1-dimethylethyl)amino]-3-phenyl- [ACD/Index Name]
2-[(2-Methyl-2-propanyl)amino]-3-phenyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-[(2-Methyl-2-propanyl)amino]-3-phenyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-[(2-Méthyl-2-propanyl)amino]-3-phényl[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: 1.3±0.1 g/cm3
Boiling Point: 516.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.4±27.9 °C
Index of Refraction: 1.674
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1721.72
ACD/KOC (pH 5.5): 7209.32
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1721.79
ACD/KOC (pH 7.4): 7209.61
Polar Surface Area: 73 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 275.2±7.0 cm3

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