ChemSpider 2D Image | 2-(4-Bromophenoxy)-3-isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C19H19BrN2O2S

2-(4-Bromophenoxy)-3-isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC19H19BrN2O2S
  • Average mass419.335 Da
  • Monoisotopic mass418.035065 Da
  • ChemSpider ID24741168

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-(4-bromophenoxy)-5,6,7,8-tetrahydro-3-(1-methylethyl)- [ACD/Index Name]
2-(4-Bromophenoxy)-3-isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-(4-Bromophénoxy)-3-isopropyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
2-(4-Bromphenoxy)-3-isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 552.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3741.50
ACD/KOC (pH 5.5): 12565.53
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3741.50
ACD/KOC (pH 7.4): 12565.53
Polar Surface Area: 70 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

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