ChemSpider 2D Image | 3-(4-Methylphenyl)-2-(4-morpholinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | C21H19N3O2S

3-(4-Methylphenyl)-2-(4-morpholinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC21H19N3O2S
  • Average mass377.460 Da
  • Monoisotopic mass377.119812 Da
  • ChemSpider ID24735916

More details:

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

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-methylphenyl)-2-(4-morpholinyl)- [ACD/Index Name]
3-(4-Methylphenyl)-2-(4-morpholinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-2-(4-morpholinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(4-Méthylphényl)-2-(4-morpholinyl)[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: 1.4±0.1 g/cm3
Boiling Point: 593.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 517.09
ACD/KOC (pH 5.5): 3047.72
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 517.09
ACD/KOC (pH 7.4): 3047.73
Polar Surface Area: 73 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

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