ChemSpider 2D Image | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE | C33H38FN5O4

N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID4451255

  • defined stereocentres - 3 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-[(2R)-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-[(2R)-3,3-Dimethyl-2-piperidinyl]-2-fluor-6-hydroxybenzoyl}benzoyl)amino]-3-azepanyl}isonicotinamid [German] [ACD/IUPAC Name]
N-{(3R,4R)-4-[(4-{3-[(2R)-3,3-Dimethyl-2-piperidinyl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]-3-azepanyl}isonicotinamide [ACD/IUPAC Name]
N-{(3R,4R)-4-[(4-{3-[(2R)-3,3-Diméthyl-2-pipéridinyl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]-3-azépanyl}isonicotinamide [French] [ACD/IUPAC Name]
N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE
R68

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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