Found 1 result

Search term: PHOCCMVBRLGOKP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Methyl-4'-{8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-(4-pyrimidinyl)-1,3,8-triazaspiro[4.5]dec-3-yl}-4-biphenylcarboxylic acid | C32H30N6O4

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

  • Molecular FormulaC32H30N6O4
  • Average mass562.618 Da
  • Monoisotopic mass562.232849 Da
  • ChemSpider ID28517504

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-(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-(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-(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-(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: 1.4±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 14.71
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.75
Polar Surface Area: 120 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 393.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement