ChemSpider 2D Image | 2-(3-Bromoadamantan-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethanone | C25H29BrN2O

2-(3-Bromoadamantan-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethanone

  • Molecular FormulaC25H29BrN2O
  • Average mass453.415 Da
  • Monoisotopic mass452.146332 Da
  • ChemSpider ID22401839

More details:

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

2-(3-Bromadamantan-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethanon [German] [ACD/IUPAC Name]
2-(3-Bromoadamantan-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethanone [ACD/IUPAC Name]
2-(3-Bromoadamantan-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(3-bromotricyclo[3.3.1.13,7]dec-1-yl)-1-[3,6-dihydro-4-(1H-indol-3-yl)-1(2H)-pyridinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7479.47
ACD/KOC (pH 5.5): 20630.37
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7479.48
ACD/KOC (pH 7.4): 20630.39
Polar Surface Area: 36 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

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