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Search term: VJDZJAUBPMXVAF-OAQYLSRUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-({4-Hydroxy-1-[(3R)-3-phenylbutanoyl]-4-piperidinyl}methyl)-6-{[2-(1-pyrrolidinyl)ethyl]amino}-4(3H)-pyrimidinone | C26H37N5O3

3-({4-Hydroxy-1-[(3R)-3-phenylbutanoyl]-4-piperidinyl}methyl)-6-{[2-(1-pyrrolidinyl)ethyl]amino}-4(3H)-pyrimidinone

  • Molecular FormulaC26H37N5O3
  • Average mass467.604 Da
  • Monoisotopic mass467.289642 Da
  • ChemSpider ID90665284

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({4-Hydroxy-1-[(3R)-3-phenylbutanoyl]-4-piperidinyl}methyl)-6-{[2-(1-pyrrolidinyl)ethyl]amino}-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
3-({4-Hydroxy-1-[(3R)-3-phenylbutanoyl]-4-piperidinyl}methyl)-6-{[2-(1-pyrrolidinyl)ethyl]amino}-4(3H)-pyrimidinone [ACD/IUPAC Name]
3-({4-Hydroxy-1-[(3R)-3-phénylbutanoyl]-4-pipéridinyl}méthyl)-6-{[2-(1-pyrrolidinyl)éthyl]amino}-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 3-[[4-hydroxy-1-[(3R)-1-oxo-3-phenylbutyl]-4-piperidinyl]methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.4±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 374.8±7.0 cm3

Click to predict properties on the Chemicalize site


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