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

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

  • Molecular FormulaC27H31F2N3O5
  • Average mass515.549 Da
  • Monoisotopic mass515.223206 Da
  • ChemSpider ID58923152

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-1-Benzopyran-6-carboxamide, 8-[[(3,5-difluorophenyl)(2-methoxyethyl)amino]methyl]-N,N-dimethyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo- [ACD/Index Name]
8-{[(3,5-Difluorophenyl)(2-methoxyethyl)amino]methyl}-N,N-dimethyl-2-[(2R)-2-methyl-4-morpholinyl]-4-oxo-4H-chromene-6-carboxamide [ACD/IUPAC Name]
8-{[(3,5-Difluorophényl)(2-méthoxyéthyl)amino]méthyl}-N,N-diméthyl-2-[(2R)-2-méthyl-4-morpholinyl]-4-oxo-4H-chromène-6-carboxamide [French] [ACD/IUPAC Name]
8-{[(3,5-Difluorphenyl)(2-methoxyethyl)amino]methyl}-N,N-dimethyl-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: 691.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.26
ACD/KOC (pH 5.5): 1697.16
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.34
ACD/KOC (pH 7.4): 1697.79
Polar Surface Area: 72 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 399.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement