ChemSpider 2D Image | Ethyl N-({[4'-(4-[4-(hydroxymethyl)phenyl]-6-{[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl)-2-biphenylyl]methyl}carbamoyl)glycinate | C39H50N4O6

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

  • Molecular FormulaC39H50N4O6
  • Average mass670.838 Da
  • Monoisotopic mass670.373047 Da
  • ChemSpider ID2841460

More details:

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

Ethyl N-({[4'-(4-[4-(hydroxymethyl)phenyl]-6-{[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl)-2-biphenylyl]methyl}carbamoyl)glycinate [ACD/IUPAC Name]
Ethyl-N-({[4'-(4-[4-(hydroxymethyl)phenyl]-6-{[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl)-2-biphenylyl]methyl}carbamoyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[[4'-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]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-{[2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]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: 855.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.3±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 12.26
ACD/KOC (pH 7.4): 51.02
Polar Surface Area: 113 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 559.9±3.0 cm3

Click to predict properties on the Chemicalize site


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