ChemSpider 2D Image | 3-({2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoyl-5-phenyl-2-cyclohexen-1-one | C29H31F3N2O3

3-({2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoyl-5-phenyl-2-cyclohexen-1-one

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID3259145

More details:

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

2-Cyclohexen-1-one, 3-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]amino]-2-(1-oxopentyl)-5-phenyl- [ACD/Index Name]
3-({2-[2-Methyl-5-(trifluormethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoyl-5-phenyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
3-({2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoyl-5-phenyl-2-cyclohexen-1-one [ACD/IUPAC Name]
3-({2-[2-Méthyl-5-(trifluorométhoxy)-1H-indol-3-yl]éthyl}amino)-2-pentanoyl-5-phényl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoyl-5-phenylcyclohex-2-en-1-one
3-({2-[2-methyl-5-(trifluoromethoxy)indol-3-yl]ethyl}amino)-2-pentanoyl-5-phenylcyclohex-2-en-1-one
3-[2-(2-Methyl-5-trifluoromethoxy-1H-indol-3-yl)-ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-enone

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

A3113/0131895 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 19492.34
ACD/KOC (pH 5.5): 39363.85
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22360.11
ACD/KOC (pH 7.4): 45155.16
Polar Surface Area: 71 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

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