ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide | C28H40N2O9

4-(1,3-Benzodioxol-5-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

  • Molecular FormulaC28H40N2O9
  • Average mass548.625 Da
  • Monoisotopic mass548.273376 Da
  • ChemSpider ID3455066

More details:

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

2H-Pyran-6-carboxamide, 4-(1,3-benzodioxol-5-yl)-2-ethoxy-3,4-dihydro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamid [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-éthoxy-3-{2-[2-(2-hydroxyéthoxy)éthoxy]éthyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyrane-6-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 777.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.7±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.67
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.67
Polar Surface Area: 125 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

Click to predict properties on the Chemicalize site


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