ChemSpider 2D Image | (7R)-7-Ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-5-yl)-7,8-dihydro-6(5H)-pteridinone | C22H21FN8O

(7R)-7-Ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-5-yl)-7,8-dihydro-6(5H)-pteridinone

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID30830403

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-7-Ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-5-yl)-7,8-dihydro-6(5H)-pteridinone [ACD/IUPAC Name]
(7R)-7-Éthyl-2-[2-(4-fluorophényl)-1H-imidazol-1-yl]-5-méthyl-8-(1-méthyl-1H-pyrazol-5-yl)-7,8-dihydro-6(5H)-ptéridinone [French] [ACD/IUPAC Name]
(7R)-7-Ethyl-2-[2-(4-fluorphenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-5-yl)-7,8-dihydro-6(5H)-pteridinon [German] [ACD/IUPAC Name]
6(5H)-Pteridinone, 7-ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-7,8-dihydro-5-methyl-8-(1-methyl-1H-pyrazol-5-yl)-, (7R)- [ACD/Index 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: 745.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.7±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.90
ACD/KOC (pH 5.5): 204.79
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.94
ACD/KOC (pH 7.4): 205.32
Polar Surface Area: 85 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 303.4±7.0 cm3

Click to predict properties on the Chemicalize site


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