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Search term: KWJTYPOQTXWLHU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-{8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-(2-pyrazinyl)-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarboxylic acid | C31H28N6O4

4'-{8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-(2-pyrazinyl)-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarboxylic acid

  • Molecular FormulaC31H28N6O4
  • Average mass548.592 Da
  • Monoisotopic mass548.217224 Da
  • ChemSpider ID28519636

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 4'-[8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-(2-pyrazinyl)-1,3,8-triazaspiro[4.5]dec-3-yl]- [ACD/Index Name]
4'-{8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-(2-pyrazinyl)-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-{8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-(2-pyrazinyl)-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-{8-[(3-méthyl-2-pyridinyl)méthyl]-2,4-dioxo-1-(2-pyrazinyl)-1,3,8-triazaspiro[4.5]déc-3-yl}-4-biphénylcarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 748.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.7±35.7 °C
Index of Refraction: 1.726
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.12
Polar Surface Area: 120 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 377.5±5.0 cm3

Click to predict properties on the Chemicalize site


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