ChemSpider 2D Image | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE | C33H39N5O4

N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE

  • Molecular FormulaC33H39N5O4
  • Average mass569.694 Da
  • Monoisotopic mass569.300232 Da
  • ChemSpider ID4451258

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Pyridinecarboxamide, N-[(3R,4R)-4-[[4-[5-(3,3-dimethyl-1-piperidinyl)-2-hydroxybenzoyl]benzoyl]amino]hexahydro-1H-azepin-3-yl]- [ACD/Index Name]
N-[(3R,4R)-4-({4-[5-(3,3-Dimethyl-1-piperidinyl)-2-hydroxybenzoyl]benzoyl}amino)-3-azepanyl]isonicotinamid [German] [ACD/IUPAC Name]
N-[(3R,4R)-4-({4-[5-(3,3-Dimethyl-1-piperidinyl)-2-hydroxybenzoyl]benzoyl}amino)-3-azepanyl]isonicotinamide [ACD/IUPAC Name]
N-[(3R,4R)-4-({4-[5-(3,3-Diméthyl-1-pipéridinyl)-2-hydroxybenzoyl]benzoyl}amino)-3-azépanyl]isonicotinamide [French] [ACD/IUPAC Name]
N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE
Protein Kinase B-Selective Inhibitor 4
R96

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

Density: 1.3±0.1 g/cm3
Boiling Point: 842.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 463.6±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 26.85
Polar Surface Area: 124 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 440.9±5.0 cm3

Click to predict properties on the Chemicalize site


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