ChemSpider 2D Image | Ovalene | C29H29F6N3O3

Ovalene

  • Molecular FormulaC29H29F6N3O3
  • Average mass581.549 Da
  • Monoisotopic mass581.211304 Da
  • ChemSpider ID8658774
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2S)-N-[3,5-Bis(trifluormethyl)benzyl]-1-[2-(4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
(2S)-N-[3,5-Bis(trifluoromethyl)benzyl]-1-[2-(4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
(2S)-N-[3,5-Bis(trifluorométhyl)benzyl]-1-[2-(4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)éthyl]-2,5-dihydro-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[2-(3,4-dihydro-4-oxospiro[2H-1-benzopyran-2,3'-piperidin]-1'-yl)ethyl]-2,5-dihydro-, (2S)- [ACD/Index Name]
Ovalene [ACD/Index Name] [ACD/IUPAC Name] [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 5.54
ACD/KOC (pH 5.5): 20.16
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 473.20
ACD/KOC (pH 7.4): 1720.65
Polar Surface Area: 62 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

Click to predict properties on the Chemicalize site





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