ChemSpider 2D Image | N-(3-Acetylphenyl)-2-(4-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)acetamide | C38H40N2O6

N-(3-Acetylphenyl)-2-(4-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)acetamide

  • Molecular FormulaC38H40N2O6
  • Average mass620.734 Da
  • Monoisotopic mass620.288635 Da
  • ChemSpider ID3646371

More details:






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

Benzeneacetamide, N-(3-acetylphenyl)-4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-5-phenyl-1,3-dioxan-2-yl]- [ACD/Index Name]
N-(3-Acetylphenyl)-2-(4-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)acetamid [German] [ACD/IUPAC Name]
N-(3-Acetylphenyl)-2-(4-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)acetamide [ACD/IUPAC Name]
N-(3-Acétylphényl)-2-(4-{4-[4-(hydroxyméthyl)phényl]-6-[(3-hydroxy-1-pyrrolidinyl)méthyl]-5-phényl-1,3-dioxan-2-yl}phényl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 858.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.2±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 176.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 8.67
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 72.66
ACD/KOC (pH 7.4): 352.54
Polar Surface Area: 108 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 490.6±3.0 cm3

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