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Search term: CVJHUBCBROARAB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Methyl-4'-{8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarboxylic acid | C33H29F3N6O4

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

  • Molecular FormulaC33H29F3N6O4
  • Average mass630.616 Da
  • Monoisotopic mass630.220215 Da
  • ChemSpider ID28517656

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-[8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-1,3,8-triazaspiro[4.5]dec-3-yl]- [ACD/Index Name]
2-Methyl-4'-{8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-[6-(trifluormethyl)-4-pyrimidinyl]-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2-Methyl-4'-{8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2-méthyl-4'-{8-[(3-méthyl-2-pyridinyl)méthyl]-2,4-dioxo-1-[6-(trifluorométhyl)-4-pyrimidinyl]-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: 750.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.8±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 7.18
ACD/KOC (pH 5.5): 32.40
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 11.19
Polar Surface Area: 120 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 423.5±5.0 cm3

Click to predict properties on the Chemicalize site


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