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Search term: KAPZNJYOKZDXPF-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}-2-methyl-4-biphenylcarboxylic acid | C33H32N6O5

4'-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}-2-methyl-4-biphenylcarboxylic acid

  • Molecular FormulaC33H32N6O5
  • Average mass592.644 Da
  • Monoisotopic mass592.243408 Da
  • ChemSpider ID28517779

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 4'-[1-(6-methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl]-2-methyl- [ACD/Index Name]
4'-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}-2-methyl-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-{1-(6-Methoxy-4-pyrimidinyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}-2-methyl-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-{1-(6-méthoxy-4-pyrimidinyl)-8-[(3-méthyl-2-pyridinyl)méthyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]déc-3-yl}-2-méthyl-4-biphénylcarboxylique [French] [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: 775.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.8±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 5.46
ACD/KOC (pH 5.5): 27.36
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 8.33
Polar Surface Area: 129 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 414.6±5.0 cm3

Click to predict properties on the Chemicalize site


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