ChemSpider 2D Image | Ethyl N-{[(4'-{4-[4-(hydroxymethyl)phenyl]-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinate | C38H44N4O6

Ethyl N-{[(4'-{4-[4-(hydroxymethyl)phenyl]-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinate

  • Molecular FormulaC38H44N4O6
  • Average mass652.779 Da
  • Monoisotopic mass652.326111 Da
  • ChemSpider ID3598147

More details:

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

Ethyl N-{[(4'-{4-[4-(hydroxymethyl)phenyl]-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{[(4'-{4-[4-(hydroxymethyl)phenyl]-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[[4'-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl[2-(2-pyridinyl)ethyl]amino]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-2-yl]methyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-{[(4'-{4-[4-(Hydroxyméthyl)phényl]-6-({méthyl[2-(2-pyridinyl)éthyl]amino}méthyl)-1,3-dioxan-2-yl}-2-biphénylyl)méthyl]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: 860.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 474.0±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 183.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 5.40
ACD/KOC (pH 5.5): 21.63
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 275.42
ACD/KOC (pH 7.4): 1102.86
Polar Surface Area: 122 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 544.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement