ChemSpider 2D Image | PF-232798 | C29H40FN5O2

PF-232798

  • Molecular FormulaC29H40FN5O2
  • Average mass509.659 Da
  • Monoisotopic mass509.316589 Da
  • ChemSpider ID26391334

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

849753-15-7 [RN]
Acetamide, N-[(1S)-1-(3-fluorophenyl)-3-[(3-endo)-3-[4,5,6,7-tetrahydro-2-methyl-5-(2-methyl-1-oxopropyl)-1H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]oct-8-yl]propyl]- [ACD/Index Name]
N-((S)-1-(3-Fluorophenyl)-3-((1R,3S,5S)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)propyl)acetamide
N-{(1S)-1-(3-Fluorophenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamide [ACD/IUPAC Name]
N-{(1S)-1-(3-Fluorophényl)-3-[(3-endo)-3-(5-isobutyryl-2-méthyl-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acétamide [French] [ACD/IUPAC Name]
N-{(1S)-1-(3-Fluorphenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamid [German] [ACD/IUPAC Name]
PF-232798
MFCD18782726
PF-00232798

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

63P7W7886U [DBID]
UNII:63P7W7886U [DBID]
UNII-63P7W7886U [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.37
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: 70 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 392.0±7.0 cm3

Click to predict properties on the Chemicalize site


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