ChemSpider 2D Image | Ethyl N-{[3-(4-[4-(hydroxymethyl)phenyl]-6-{[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]methyl}-1,3-dioxan-2-yl)phenyl]carbamoyl}glycinate | C33H41N3O7

Ethyl N-{[3-(4-[4-(hydroxymethyl)phenyl]-6-{[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]methyl}-1,3-dioxan-2-yl)phenyl]carbamoyl}glycinate

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID3268334

More details:

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

Ethyl N-{[3-(4-[4-(hydroxymethyl)phenyl]-6-{[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]methyl}-1,3-dioxan-2-yl)phenyl]carbamoyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{[3-(4-[4-(hydroxymethyl)phenyl]-6-{[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]methyl}-1,3-dioxan-2-yl)phenyl]carbamoyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(2-hydroxy-1-methyl-2-phenylethyl)methylamino]methyl]-1,3-dioxan-2-yl]phenyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-{[3-(4-[4-(Hydroxyméthyl)phényl]-6-{[(1-hydroxy-1-phényl-2-propanyl)(méthyl)amino]méthyl}-1,3-dioxan-2-yl)phényl]carbamoyl}glycinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.2±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 163.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 9.28
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 67.39
ACD/KOC (pH 7.4): 470.62
Polar Surface Area: 130 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

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