ChemSpider 2D Image | (1R,7S)-8-[Hydroxy(phenyl)2-pyridinylmethyl]-10-[phenyl(2-pyridinyl)methylene]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C33H25N3O3

(1R,7S)-8-[Hydroxy(phenyl)2-pyridinylmethyl]-10-[phenyl(2-pyridinyl)methylene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC33H25N3O3
  • Average mass511.570 Da
  • Monoisotopic mass511.189606 Da
  • ChemSpider ID78433780

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1R,7S)-8-[Hydroxy(phenyl)2-pyridinylmethyl]-10-[phenyl(2-pyridinyl)methylen]-4-azatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1R,7S)-8-[Hydroxy(phenyl)2-pyridinylmethyl]-10-[phenyl(2-pyridinyl)methylene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(1R,7S)-8-[Hydroxy(phényl)2-pyridinylméthyl]-10-[phényl(2-pyridinyl)méthylène]-4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-(hydroxyphenyl-2-pyridinylmethyl)-8-(phenyl-2-pyridinylmethylene)-, (4S,7R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.9±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1338.37
ACD/KOC (pH 5.5): 5777.94
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1542.91
ACD/KOC (pH 7.4): 6660.96
Polar Surface Area: 92 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 380.2±3.0 cm3

Click to predict properties on the Chemicalize site


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