ChemSpider 2D Image | N-[(2R)-1-(3-Cyanophenyl)-3-hydroxy-2-propanyl]-5-(3,4-dimethoxyphenyl)-3-furamide | C23H22N2O5

N-[(2R)-1-(3-Cyanophenyl)-3-hydroxy-2-propanyl]-5-(3,4-dimethoxyphenyl)-3-furamide

  • Molecular FormulaC23H22N2O5
  • Average mass406.431 Da
  • Monoisotopic mass406.152863 Da
  • ChemSpider ID35035430

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Furancarboxamide, N-[(1R)-2-(3-cyanophenyl)-1-(hydroxymethyl)ethyl]-5-(3,4-dimethoxyphenyl)- [ACD/Index Name]
N-[(2R)-1-(3-Cyanophenyl)-3-hydroxy-2-propanyl]-5-(3,4-dimethoxyphenyl)-3-furamide [ACD/IUPAC Name]
N-[(2R)-1-(3-Cyanophényl)-3-hydroxy-2-propanyl]-5-(3,4-diméthoxyphényl)-3-furamide [French] [ACD/IUPAC Name]
N-[(2r)-1-(3-Cyanophenyl)-3-Hydroxypropan-2-Yl]-5-(3,4-Dimethoxyphenyl)furan-3-Carboxamide
N-[(2R)-1-(3-Cyanphenyl)-3-hydroxy-2-propanyl]-5-(3,4-dimethoxyphenyl)-3-furamid [German] [ACD/IUPAC Name]
4HV

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.51
ACD/KOC (pH 5.5): 632.72
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.43
ACD/KOC (pH 7.4): 631.84
Polar Surface Area: 105 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 312.7±5.0 cm3

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