ChemSpider 2D Image | 1-Allyl-1-(1-{[(3S,4R)-1-(2-furoyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-[4-(trifluoromethyl)benzyl]urea | C33H37F3N4O4

1-Allyl-1-(1-{[(3S,4R)-1-(2-furoyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-[4-(trifluoromethyl)benzyl]urea

  • Molecular FormulaC33H37F3N4O4
  • Average mass610.667 Da
  • Monoisotopic mass610.276672 Da
  • ChemSpider ID34541094

  • 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-(2-furoyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-[4-(trifluormethyl)benzyl]harnstoff [German] [ACD/IUPAC Name]
1-Allyl-1-(1-{[(3S,4R)-1-(2-furoyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl}-4-piperidinyl)-3-[4-(trifluoromethyl)benzyl]urea [ACD/IUPAC Name]
1-Allyl-1-(1-{[(3S,4R)-1-(2-furoyl)-4-hydroxy-4-phényl-3-pyrrolidinyl]méthyl}-4-pipéridinyl)-3-[4-(trifluorométhyl)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-[[(3S,4R)-1-(2-furanylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl]-N-2-propen-1-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]- [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: 761.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.5±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 8.79
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 73.82
ACD/KOC (pH 7.4): 438.30
Polar Surface Area: 89 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 458.6±5.0 cm3

Click to predict properties on the Chemicalize site


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