ChemSpider 2D Image | N-[(3R,4R)-4-({4-[3-(3,3-Dimethyl-2-piperidinyl)-2-fluoro-6-hydroxybenzoyl]benzoyl}amino)-3-azepanyl]isonicotinamide | C33H38FN5O4

N-[(3R,4R)-4-({4-[3-(3,3-Dimethyl-2-piperidinyl)-2-fluoro-6-hydroxybenzoyl]benzoyl}amino)-3-azepanyl]isonicotinamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID9620281

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-Pyridinecarboxamide, N-[(3R,4R)-4-[[4-[3-(3,3-dimethyl-2-piperidinyl)-2-fluoro-6-hydroxybenzoyl]benzoyl]amino]hexahydro-1H-azepin-3-yl]- [ACD/Index Name]
N-[(3R,4R)-4-({4-[3-(3,3-Dimethyl-2-piperidinyl)-2-fluor-6-hydroxybenzoyl]benzoyl}amino)-3-azepanyl]isonicotinamid [German] [ACD/IUPAC Name]
N-[(3R,4R)-4-({4-[3-(3,3-Dimethyl-2-piperidinyl)-2-fluoro-6-hydroxybenzoyl]benzoyl}amino)-3-azepanyl]isonicotinamide [ACD/IUPAC Name]
N-[(3R,4R)-4-({4-[3-(3,3-Diméthyl-2-pipéridinyl)-2-fluoro-6-hydroxybenzoyl]benzoyl}amino)-3-azépanyl]isonicotinamide [French] [ACD/IUPAC Name]
Protein Kinase B-Selective Inhibitor 2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 447.0±5.0 cm3

Click to predict properties on the Chemicalize site


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