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Search term: WNHRUAZGRQBOOI-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-(1,3-Benzodioxol-5-yl)-1-(2,6-difluorobenzyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidinedione | C28H25F2N3O4

5-(1,3-Benzodioxol-5-yl)-1-(2,6-difluorobenzyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC28H25F2N3O4
  • Average mass505.513 Da
  • Monoisotopic mass505.181305 Da
  • ChemSpider ID9332088

  • 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, 5-(1,3-benzodioxol-5-yl)-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]- [ACD/Index Name]
5-(1,3-Benzodioxol-5-yl)-1-(2,6-difluorbenzyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-yl)-1-(2,6-difluorobenzyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-yl)-1-(2,6-difluorobenzyl)-6-méthyl-3-[(2R)-2-(méthylamino)-2-phényléthyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-(1,3-benzodioxol-5-yl)-1-(2,6-difluorobenzyl)-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]pyrimidine-2,4(1H,3H)-dione
5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-methyl-3-((R)-2-methylamino-2-phenyl-ethyl)-1H-pyrimidine-2,4-dione
CHEMBL178281

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.0±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 12.58
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 122.94
ACD/KOC (pH 7.4): 518.56
Polar Surface Area: 71 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 377.3±3.0 cm3

Click to predict properties on the Chemicalize site


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