Found 192 results

Search term: MF = 'C_{22}H_{19}NOS'
ChemSpider 2D Image | (2E)-1-(4-Phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(3-thienyl)-2-propen-1-one | C22H19NOS

(2E)-1-(4-Phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(3-thienyl)-2-propen-1-one

  • Molecular FormulaC22H19NOS
  • Average mass345.457 Da
  • Monoisotopic mass345.118744 Da
  • ChemSpider ID30043476

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(4-Phenyl-3,4-dihydro-2(1H)-isochinolinyl)-3-(3-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(4-Phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-3-(3-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-(4-Phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(3-thienyl)-2-propen-1-one [ACD/IUPAC Name]
2-Propen-1-one, 1-(3,4-dihydro-4-phenyl-2(1H)-isoquinolinyl)-3-(3-thienyl)-, (2E)- [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: 561.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1465.92
ACD/KOC (pH 5.5): 6425.40
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1465.92
ACD/KOC (pH 7.4): 6425.40
Polar Surface Area: 49 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 281.1±3.0 cm3

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