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Search term: QMHHJGXDVINUBR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-6-methyl-5-(4-phenoxyphenyl)-2,4(1H,3H)-pyrimidinedione | C32H27F2N3O3

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

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID9482203

  • 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]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(4-phenoxyphenyl)- [ACD/Index Name]
3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorbenzyl)-6-methyl-5-(4-phenoxyphenyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-6-methyl-5-(4-phenoxyphenyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-[(2R)-2-Amino-2-phényléthyl]-1-(2,6-difluorobenzyl)-6-méthyl-5-(4-phénoxyphényl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
3-[(2R)-2-amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-6-methyl-5-(4-phenoxyphenyl)pyrimidine-2,4(1H,3H)-dione
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(4-phenoxy-phenyl)-1H-pyrimidine-2,4-dione
CHEMBL360935
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL360935/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.3±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 63.71
ACD/KOC (pH 5.5): 113.34
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 2667.75
ACD/KOC (pH 7.4): 4746.17
Polar Surface Area: 76 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

Click to predict properties on the Chemicalize site


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