ChemSpider 2D Image | Dagrocorat | C29H29F3N2O2

Dagrocorat

  • Molecular FormulaC29H29F3N2O2
  • Average mass494.548 Da
  • Monoisotopic mass494.218109 Da
  • ChemSpider ID32700623
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-N-(2-methyl-3-pyridinyl)-7-(trifluormethyl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrencarboxamid [German] [ACD/IUPAC Name]
(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-N-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenecarboxamide [ACD/IUPAC Name]
(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-N-(2-méthyl-3-pyridinyl)-7-(trifluorométhyl)-4b,5,6,7,8,8a,9,10-octahydro-2-phénanthrènecarboxamide [French] [ACD/IUPAC Name]
1044535-52-5 [RN]
2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-, (4bS,7R,8aR)- [ACD/Index Name]
9842
dagrocorat [French] [INN]
dagrocorat [Spanish] [INN]
Dagrocorat [INN] [USAN]
dagrocoratum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 551.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.3±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 7967.79
ACD/KOC (pH 5.5): 18068.57
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14735.88
ACD/KOC (pH 7.4): 33416.54
Polar Surface Area: 62 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 378.2±3.0 cm3

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