ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[(3S,4R)-1-[4-(allyloxy)butanoyl]-4-(difluoromethyl)-3-pyrrolidinyl]carbamoyl}-4-(3-buten-1-yl)-1-piperidinecarboxylate | C27H43F2N3O5

2-Methyl-2-propanyl 4-{[(3S,4R)-1-[4-(allyloxy)butanoyl]-4-(difluoromethyl)-3-pyrrolidinyl]carbamoyl}-4-(3-buten-1-yl)-1-piperidinecarboxylate

  • Molecular FormulaC27H43F2N3O5
  • Average mass527.644 Da
  • Monoisotopic mass527.317078 Da
  • ChemSpider ID84494950

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-(3-buten-1-yl)-4-[[[(3S,4R)-4-(difluoromethyl)-1-[1-oxo-4-(2-propen-1-yloxy)butyl]-3-pyrrolidinyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(3S,4R)-1-[4-(allyloxy)butanoyl]-4-(difluoromethyl)-3-pyrrolidinyl]carbamoyl}-4-(3-buten-1-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(3S,4R)-1-[4-(allyloxy)butanoyl]-4-(difluormethyl)-3-pyrrolidinyl]carbamoyl}-4-(3-buten-1-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(3S,4R)-1-[4-(Allyloxy)butanoyl]-4-(difluorométhyl)-3-pyrrolidinyl]carbamoyl}-4-(3-butén-1-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 656.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.0±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.02
ACD/KOC (pH 5.5): 2490.62
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.02
ACD/KOC (pH 7.4): 2490.62
Polar Surface Area: 88 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 458.9±5.0 cm3

Click to predict properties on the Chemicalize site


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