ChemSpider 2D Image | N-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]-4-[(3Z,5E)-3,5-bis(3-hydroxybenzylidene)-4-oxo-1-piperidinyl]-4-oxobutanamide | C33H45N5O5

N-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]-4-[(3Z,5E)-3,5-bis(3-hydroxybenzylidene)-4-oxo-1-piperidinyl]-4-oxobutanamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID76747334
  • Double-bond stereo - Double-bond stereo


More details:






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

1-Piperidinebutanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-3,5-bis[(3-hydroxyphenyl)methylene]-γ,4-dioxo-, (3Z,5E)- [ACD/Index Name]
N-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]-4-[(3Z,5E)-3,5-bis(3-hydroxybenzyliden)-4-oxo-1-piperidinyl]-4-oxobutanamid [German] [ACD/IUPAC Name]
N-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]-4-[(3Z,5E)-3,5-bis(3-hydroxybenzylidene)-4-oxo-1-piperidinyl]-4-oxobutanamide [ACD/IUPAC Name]
N-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]-4-[(3Z,5E)-3,5-bis(3-hydroxybenzylidène)-4-oxo-1-pipéridinyl]-4-oxobutanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 905.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 501.1±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 483.0±3.0 cm3

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