ChemSpider 2D Image | 8-(2,5-Difluorobenzyl)-3-isobutyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | C26H31F2N3O2

8-(2,5-Difluorobenzyl)-3-isobutyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC26H31F2N3O2
  • Average mass455.540 Da
  • Monoisotopic mass455.238434 Da
  • ChemSpider ID22127577

More details:






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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-[(2,5-difluorophenyl)methyl]-3-(2-methylpropyl)-1-(2-phenylethyl)- [ACD/Index Name]
8-(2,5-Difluorbenzyl)-3-isobutyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
8-(2,5-Difluorobenzyl)-3-isobutyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
8-(2,5-Difluorobenzyl)-3-isobutyl-1-(2-phényléthyl)-1,3,8-triazaspiro[4.5]décane-2,4-dione [French] [ACD/IUPAC 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: 540.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.7±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 20.67
ACD/KOC (pH 5.5): 88.10
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 794.28
ACD/KOC (pH 7.4): 3386.32
Polar Surface Area: 44 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 363.4±5.0 cm3

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