ChemSpider 2D Image | N-{(3-endo)-8-[5-(Benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylterephthalamide | C30H33N5O3

N-{(3-endo)-8-[5-(Benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylterephthalamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID59053604

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,4-Benzenedicarboxamide, 2,5-dimethyl-N1-[(3-endo)-8-[5-[[(phenylmethyl)amino]carbonyl]-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]
N-{(3-endo)-8-[5-(Benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-diméthyltéréphtalamide [French] [ACD/IUPAC Name]
N-{(3-endo)-8-[5-(Benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylterephthalamid [German] [ACD/IUPAC Name]
N-{(3-endo)-8-[5-(Benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylterephthalamide [ACD/IUPAC Name]
99A
N-{(3-Endo)-8-[5-(Benzylcarbamoyl)pyridin-2-Yl]-8-Azabicyclo[3.2.1]oct-3-Yl}-2,5-Dimethylbenzene-1,4-Dicarboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 38.40
ACD/KOC (pH 5.5): 285.43
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 215.00
ACD/KOC (pH 7.4): 1598.02
Polar Surface Area: 117 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 391.3±5.0 cm3

Click to predict properties on the Chemicalize site


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