ChemSpider 2D Image | 1-{3-[(2R,3S,4S)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-4-yl]-1H-indol-1-yl}ethanone | C34H49N3O7

1-{3-[(2R,3S,4S)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-4-yl]-1H-indol-1-yl}ethanone

  • Molecular FormulaC34H49N3O7
  • Average mass611.769 Da
  • Monoisotopic mass611.357056 Da
  • ChemSpider ID5104108

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{3-[(2R,3S,4S)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-4-yl]-1H-indol-1-yl}ethanon [German] [ACD/IUPAC Name]
1-{3-[(2R,3S,4S)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-4-yl]-1H-indol-1-yl}ethanone [ACD/IUPAC Name]
1-{3-[(2R,3S,4S)-6-(1,4'-Bipipéridin-1'-ylcarbonyl)-2-éthoxy-3-{2-[2-(2-hydroxyéthoxy)éthoxy]éthyl}-3,4-dihydro-2H-pyran-4-yl]-1H-indol-1-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[(2R,3S,4S)-6-([1,4'-bipiperidin]-1'-ylcarbonyl)-2-ethoxy-3,4-dihydro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2H-pyran-4-yl]-1H-indol-1-yl]- [ACD/Index Name]

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

DHPC1_004244 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 777.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 166.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 13.94
Polar Surface Area: 103 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 484.7±7.0 cm3

Click to predict properties on the Chemicalize site


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