ChemSpider 2D Image | 3-(8-{2-[(Cyclohexylmethyl)(glyceroyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide | C26H39N3O4

3-(8-{2-[(Cyclohexylmethyl)(glyceroyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide

  • Molecular FormulaC26H39N3O4
  • Average mass457.606 Da
  • Monoisotopic mass457.294067 Da
  • ChemSpider ID72390843

More details:

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

3-(8-{2-[(Cyclohexylmethyl)(glyceroyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamid [German] [ACD/IUPAC Name]
3-(8-{2-[(Cyclohexylmethyl)(glyceroyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide [ACD/IUPAC Name]
3-(8-{2-[(Cyclohexylméthyl)(glyceroyl)amino]éthyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[8-[2-[(cyclohexylmethyl)(2,3-dihydroxy-1-oxopropyl)amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]
949904-48-7 [RN]
Axelopran (USAN/INN)
D10740
MFCD28502065

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 107 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 382.7±3.0 cm3

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