ChemSpider 2D Image | 2-Amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-{4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl}nicotinamide | C30H38N4O3

2-Amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-{4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl}nicotinamide

  • Molecular FormulaC30H38N4O3
  • Average mass502.648 Da
  • Monoisotopic mass502.294403 Da
  • ChemSpider ID115010438

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-Amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-{4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl}nicotinamid [German] [ACD/IUPAC Name]
2-Amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-{4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl}nicotinamide [ACD/IUPAC Name]
2-Amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-{4-[(1R,5S)-3-(tétrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phényl}nicotinamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl]- [ACD/Index Name]
2173389-57-4 [RN]
zilurgisertib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.0±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 15.80
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 173.67
ACD/KOC (pH 7.4): 622.02
Polar Surface Area: 101 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 376.4±5.0 cm3

Click to predict properties on the Chemicalize site


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