ChemSpider 2D Image | 2-(1H-Imidazol-1-yl)-3-isopropyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | C16H14N4OS

2-(1H-Imidazol-1-yl)-3-isopropyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC16H14N4OS
  • Average mass310.374 Da
  • Monoisotopic mass310.088837 Da
  • ChemSpider ID21119585

More details:

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

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 2-(1H-imidazol-1-yl)-3-(1-methylethyl)- [ACD/Index Name]
2-(1H-Imidazol-1-yl)-3-isopropyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)-3-isopropyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)-3-isopropyl[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: 555.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.8±27.9 °C
Index of Refraction: 1.749
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.10
ACD/KOC (pH 5.5): 560.84
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 54.07
ACD/KOC (pH 7.4): 605.26
Polar Surface Area: 79 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 217.2±7.0 cm3

Click to predict properties on the Chemicalize site


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