Found 6 results

Search term: SZGUWLDVMTURRF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E)-1-[(1R)-1-[4-(Diethylamino)phenyl]-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-3-(4-methoxyphenyl)-2-propen-1-one | C29H38N2O3

(2E)-1-[(1R)-1-[4-(Diethylamino)phenyl]-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-3-(4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC29H38N2O3
  • Average mass462.624 Da
  • Monoisotopic mass462.288239 Da
  • ChemSpider ID60554343

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2E)-1-[(1R)-1-[4-(Diethylamino)phenyl]-4a-hydroxyoctahydro-2(1H)-isochinolinyl]-3-(4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[(1R)-1-[4-(Diéthylamino)phényl]-4a-hydroxyoctahydro-2(1H)-isoquinoléinyl]-3-(4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-[(1R)-1-[4-(Diethylamino)phenyl]-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-3-(4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
2-Propen-1-one, 1-[(1R)-1-[4-(diethylamino)phenyl]octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-3-(4-methoxyphenyl)-, (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: 672.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 112.88
ACD/KOC (pH 5.5): 373.80
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2662.91
ACD/KOC (pH 7.4): 8818.21
Polar Surface Area: 53 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 400.5±3.0 cm3

Click to predict properties on the Chemicalize site


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