ChemSpider 2D Image | 8-{1-[(3,5-Difluorophenyl)(methyl)amino]ethyl}-N-(2-hydroxyethyl)-N-methyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo-4H-chromene-6-carboxamide | C27H31F2N3O5

8-{1-[(3,5-Difluorophenyl)(methyl)amino]ethyl}-N-(2-hydroxyethyl)-N-methyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo-4H-chromene-6-carboxamide

  • Molecular FormulaC27H31F2N3O5
  • Average mass515.549 Da
  • Monoisotopic mass515.223206 Da
  • ChemSpider ID58905889

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4H-1-Benzopyran-6-carboxamide, 8-[1-[(3,5-difluorophenyl)methylamino]ethyl]-N-(2-hydroxyethyl)-N-methyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo- [ACD/Index Name]
8-{1-[(3,5-Difluorophenyl)(methyl)amino]ethyl}-N-(2-hydroxyethyl)-N-methyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo-4H-chromene-6-carboxamide [ACD/IUPAC Name]
8-{1-[(3,5-Difluorophényl)(méthyl)amino]éthyl}-N-(2-hydroxyéthyl)-N-méthyl-2-[(2R)-2-méthyl-4-morpholinyl]-4-oxo-4H-chromène-6-carboxamide [French] [ACD/IUPAC Name]
8-{1-[(3,5-Difluorphenyl)(methyl)amino]ethyl}-N-(2-hydroxyethyl)-N-methyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo-4H-chromen-6-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.25
ACD/KOC (pH 5.5): 788.32
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.40
ACD/KOC (pH 7.4): 789.90
Polar Surface Area: 83 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 391.0±3.0 cm3

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