ChemSpider 2D Image | N-[(3R,4R)-4-{[4-(2-Fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino}-3-azepanyl]isonicotinamide | C27H27FN4O5

N-[(3R,4R)-4-{[4-(2-Fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino}-3-azepanyl]isonicotinamide

  • Molecular FormulaC27H27FN4O5
  • Average mass506.526 Da
  • Monoisotopic mass506.196533 Da
  • ChemSpider ID571230

  • 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-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]hexahydro-1H-azepin-3-yl]- [ACD/Index Name]
N-[(3R,4R)-4-{[4-(2-Fluor-6-hydroxy-3-methoxybenzoyl)benzoyl]amino}-3-azepanyl]isonicotinamid [German] [ACD/IUPAC Name]
N-[(3R,4R)-4-{[4-(2-Fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino}-3-azepanyl]isonicotinamide [ACD/IUPAC Name]
N-[(3R,4R)-4-{[4-(2-Fluoro-6-hydroxy-3-méthoxybenzoyl)benzoyl]amino}-3-azépanyl]isonicotinamide [French] [ACD/IUPAC Name]
N-{(3r,4r)-4-[4-(2-Fluoro-6-Hydroxy-3-Methoxy-Benzoyl)-Benzoylamino]-Azepan-3-Yl}isonicotinamide
I04

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 130 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


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