ChemSpider 2D Image | 4-[(1S,2R,5S)-7-Benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N-[3-(4-ethyl-1-piperazinyl)propyl]butanamide | C27H45N5O

4-[(1S,2R,5S)-7-Benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N-[3-(4-ethyl-1-piperazinyl)propyl]butanamide

  • Molecular FormulaC27H45N5O
  • Average mass455.679 Da
  • Monoisotopic mass455.362396 Da
  • ChemSpider ID53597931

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,7-Diazabicyclo[3.3.1]nonane-2-butanamide, N-[3-(4-ethyl-1-piperazinyl)propyl]-7-(phenylmethyl)-, (1S,2R,5S)- [ACD/Index Name]
4-[(1S,2R,5S)-7-Benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N-[3-(4-ethyl-1-piperazinyl)propyl]butanamid [German] [ACD/IUPAC Name]
4-[(1S,2R,5S)-7-Benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N-[3-(4-ethyl-1-piperazinyl)propyl]butanamide [ACD/IUPAC Name]
4-[(1S,2R,5S)-7-Benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N-[3-(4-éthyl-1-pipérazinyl)propyl]butanamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

Click to predict properties on the Chemicalize site


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