ChemSpider 2D Image | 1,3-Benzodioxol-5-ylmethyl allyl(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)carbamate | C34H43N3O6

1,3-Benzodioxol-5-ylmethyl allyl(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)carbamate

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID20560007

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzodioxol-5-ylmethyl allyl(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)carbamate [ACD/IUPAC Name]
1,3-Benzodioxol-5-ylmethyl-allyl(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)carbamat [German] [ACD/IUPAC Name]
Allyl(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phényl-3-pyrrolidinyl]méthyl}-4-pipéridinyl)carbamate de 1,3-benzodioxol-5-ylméthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl]-N-2-propen-1-yl-, 1,3-benzodioxol-5-ylmethyl ester [ACD/Index 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: 741.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.3±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 17.47
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 190.29
ACD/KOC (pH 7.4): 877.87
Polar Surface Area: 92 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 456.2±5.0 cm3

Click to predict properties on the Chemicalize site


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