ChemSpider 2D Image | 1-(4-Phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-5-(2-thienyl)-1,5-pentanedione | C24H23NO2S

1-(4-Phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-5-(2-thienyl)-1,5-pentanedione

  • Molecular FormulaC24H23NO2S
  • Average mass389.510 Da
  • Monoisotopic mass389.144958 Da
  • ChemSpider ID21961348

More details:

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

1-(4-Phenyl-3,4-dihydro-2(1H)-isochinolinyl)-5-(2-thienyl)-1,5-pentandion [German] [ACD/IUPAC Name]
1-(4-Phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-5-(2-thiényl)-1,5-pentanedione [French] [ACD/IUPAC Name]
1-(4-Phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-5-(2-thienyl)-1,5-pentanedione [ACD/IUPAC Name]
1,5-Pentanedione, 1-(3,4-dihydro-4-phenyl-2(1H)-isoquinolinyl)-5-(2-thienyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3063.70
ACD/KOC (pH 5.5): 10890.55
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3063.70
ACD/KOC (pH 7.4): 10890.55
Polar Surface Area: 66 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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