ChemSpider 2D Image | N-[(3S,7S,8aS)-3-(4-Aminobutyl)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(4-chlorophenoxy)nicotinamide | C23H26ClN5O4

N-[(3S,7S,8aS)-3-(4-Aminobutyl)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(4-chlorophenoxy)nicotinamide

  • Molecular FormulaC23H26ClN5O4
  • Average mass471.937 Da
  • Monoisotopic mass471.167328 Da
  • ChemSpider ID29655541

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[(3S,7S,8aS)-3-(4-aminobutyl)octahydro-1,4-dioxopyrrolo[1,2-a]pyrazin-7-yl]-2-(4-chlorophenoxy)- [ACD/Index Name]
N-[(3S,7S,8aS)-3-(4-Aminobutyl)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(4-chlorophenoxy)nicotinamide [ACD/IUPAC Name]
N-[(3S,7S,8aS)-3-(4-Aminobutyl)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(4-chlorophénoxy)nicotinamide [French] [ACD/IUPAC Name]
N-[(3S,7S,8aS)-3-(4-Aminobutyl)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(4-chlorphenoxy)nicotinamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


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