ChemSpider 2D Image | 3-[(2R)-2-Amino-2-phenylethyl]-5-(4-chlorophenyl)-1-(2,6-difluorobenzyl)-6-methyl-2,4(1H,3H)-pyrimidinedione | C26H22ClF2N3O2

3-[(2R)-2-Amino-2-phenylethyl]-5-(4-chlorophenyl)-1-(2,6-difluorobenzyl)-6-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC26H22ClF2N3O2
  • Average mass481.922 Da
  • Monoisotopic mass481.136871 Da
  • ChemSpider ID23250482

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-amino-2-phenylethyl]-5-(4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-6-methyl- [ACD/Index Name]
3-[(2R)-2-Amino-2-phenylethyl]-5-(4-chlorophenyl)-1-(2,6-difluorobenzyl)-6-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-[(2R)-2-Amino-2-phényléthyl]-5-(4-chlorophényl)-1-(2,6-difluorobenzyl)-6-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
3-[(2R)-2-amino-2-phenylethyl]-5-(4-chlorophenyl)-1-(2,6-difluorobenzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
3-[(2R)-2-Amino-2-phenylethyl]-5-(4-chlorphenyl)-1-(2,6-difluorbenzyl)-6-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-((R)-2-Amino-2-phenyl-ethyl)-5-(4-chloro-phenyl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
CHEMBL184345

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.9±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 9.27
ACD/KOC (pH 5.5): 28.53
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 388.29
ACD/KOC (pH 7.4): 1194.65
Polar Surface Area: 67 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 356.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement