ChemSpider 2D Image | 1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidinecarboxamide | C35H40ClN3O7

1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidinecarboxamide

  • Molecular FormulaC35H40ClN3O7
  • Average mass650.161 Da
  • Monoisotopic mass649.255493 Da
  • ChemSpider ID8028241

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(3S)-3-{[(3-chlorphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Acétyl-N-[2-(1,3-benzodioxol-5-yl)éthyl]-N-[(3S)-3-{[2-(3-chlorophénoxy)acétyl]amino}-2-hydroxy-4-phénylbutyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(3S)-3-[[2-(3-chlorophenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]- [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: 906.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 501.9±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1518.48
ACD/KOC (pH 5.5): 6589.48
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1518.48
ACD/KOC (pH 7.4): 6589.47
Polar Surface Area: 118 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 499.9±3.0 cm3

Click to predict properties on the Chemicalize site


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