ChemSpider 2D Image | 1-Allyl-1-(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-(4-nitrobenzyl)urea | C33H43N5O5

1-Allyl-1-(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-(4-nitrobenzyl)urea

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID25033755

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Allyl-1-(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-(4-nitrobenzyl)harnstoff [German] [ACD/IUPAC Name]
1-Allyl-1-(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-(4-nitrobenzyl)urea [ACD/IUPAC Name]
1-Allyl-1-(1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phényl-3-pyrrolidinyl]méthyl}-4-pipéridinyl)-3-(4-nitrobenzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[1-[[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl]-N'-[(4-nitrophenyl)methyl]-N-2-propen-1-yl- [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: 822.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.4±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 165.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 8.47
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 70.81
ACD/KOC (pH 7.4): 418.38
Polar Surface Area: 122 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 460.3±5.0 cm3

Click to predict properties on the Chemicalize site


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