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Search term: NAKAWVWXVKWSQY-DEOSSOPVSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-(2,6-Difluorobenzyl)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione | C29H28F3N3O3

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

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID9401806
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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1-(2,6-Difluorbenzyl)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-(2-fluor-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-3-[(2R)-2-(diméthylamino)-2-phényléthyl]-5-(2-fluoro-3-méthoxyphényl)-6-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(2,6-difluorobenzyl)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 1-[(2,6-difluorophenyl)methyl]-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl- [ACD/Index Name]
1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-2-phenyl-ethyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
CHEMBL179429

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 615.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 67.75
ACD/KOC (pH 5.5): 161.37
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 3380.72
ACD/KOC (pH 7.4): 8052.13
Polar Surface Area: 53 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 409.3±3.0 cm3

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