ChemSpider 2D Image | 3-Phenyl-2-(1-piperidinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | C21H19N3OS

3-Phenyl-2-(1-piperidinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC21H19N3OS
  • Average mass361.460 Da
  • Monoisotopic mass361.124878 Da
  • ChemSpider ID21126244

More details:

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

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 3-phenyl-2-(1-piperidinyl)- [ACD/Index Name]
3-Phenyl-2-(1-piperidinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-Phenyl-2-(1-piperidinyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-Phényl-2-(1-pipéridinyl)[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: 553.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.4±27.9 °C
Index of Refraction: 1.730
Molar Refractivity: 106.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1153.16
ACD/KOC (pH 5.5): 5411.27
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1153.18
ACD/KOC (pH 7.4): 5411.36
Polar Surface Area: 64 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 266.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement