ChemSpider 2D Image | (4'-{3-[(2S,5S)-2,5-Dimethyl-1-pyrrolidinyl]propoxy}-4-biphenylyl)(4-morpholinyl)methanone | C26H34N2O3

(4'-{3-[(2S,5S)-2,5-Dimethyl-1-pyrrolidinyl]propoxy}-4-biphenylyl)(4-morpholinyl)methanone

  • Molecular FormulaC26H34N2O3
  • Average mass422.560 Da
  • Monoisotopic mass422.256958 Da
  • ChemSpider ID23123564
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4'-{3-[(2S,5S)-2,5-Dimethyl-1-pyrrolidinyl]propoxy}-4-biphenylyl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(4'-{3-[(2S,5S)-2,5-Dimethyl-1-pyrrolidinyl]propoxy}-4-biphenylyl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(4'-{3-[(2S,5S)-2,5-Diméthyl-1-pyrrolidinyl]propoxy}-4-biphénylyl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
(4'-{3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy}biphenyl-4-yl)(morpholin-4-yl)methanone
Methanone, [4'-[3-[(2S,5S)-2,5-dimethyl-1-pyrrolidinyl]propoxy][1,1'-biphenyl]-4-yl]-4-morpholinyl- [ACD/Index Name]
{4'-[3-(2,5-Dimethyl-pyrrolidin-1-yl)-propoxy]-biphenyl-4-yl}-morpholin-4-yl-methanone with L-tartaric acid
A-349821

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.61
Polar Surface Area: 42 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

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