Found 1 result

Search term: OEKYQWSUPLNKJE-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidinedione | C28H26F3N3O3

1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC28H26F3N3O3
  • Average mass509.520 Da
  • Monoisotopic mass509.192627 Da
  • ChemSpider ID9343871

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2,6-Difluorbenzyl)-5-(2-fluor-3-methoxyphenyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-méthoxyphényl)-6-méthyl-3-[(2R)-2-(méthylamino)-2-phényléthyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]pyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]- [ACD/Index Name]
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-((R)-2-methylamino-2-phenyl-ethyl)-1H-pyrimidine-2,4-dione
CHEMBL180076

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 14.72
ACD/KOC (pH 5.5): 39.44
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 606.80
ACD/KOC (pH 7.4): 1625.91
Polar Surface Area: 62 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement