ChemSpider 2D Image | 8-[(1-Benzyl-1H-tetrazol-5-yl)(4-quinolinyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C31H30N8O

8-[(1-Benzyl-1H-tetrazol-5-yl)(4-quinolinyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC31H30N8O
  • Average mass530.623 Da
  • Monoisotopic mass530.254272 Da
  • ChemSpider ID26646685

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-8-[[1-(phenylmethyl)-1H-tetrazol-5-yl]-4-quinolinylmethyl]- [ACD/Index Name]
8-[(1-Benzyl-1H-tetrazol-5-yl)(4-chinolinyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
8-[(1-Benzyl-1H-tétrazol-5-yl)(4-quinoléinyl)méthyl]-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-[(1-Benzyl-1H-tetrazol-5-yl)(4-quinolinyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC 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: 842.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 463.5±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 75.95
ACD/KOC (pH 5.5): 734.23
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.45
ACD/KOC (pH 7.4): 874.42
Polar Surface Area: 92 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


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