ChemSpider 2D Image | 6-Fluoro-N-{(1R,5R)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3,4-dihydro-2(1H)-isoquinolinecarboxamide | C28H29F2N3O

6-Fluoro-N-{(1R,5R)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3,4-dihydro-2(1H)-isoquinolinecarboxamide

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID28514529

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2(1H)-Isoquinolinecarboxamide, 6-fluoro-N-[(1R,5R)-8-[(6-fluoro-2-naphthalenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-3,4-dihydro- [ACD/Index Name]
6-Fluor-N-{(1R,5R)-8-[(6-fluor-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3,4-dihydro-2(1H)-isochinolincarboxamid [German] [ACD/IUPAC Name]
6-Fluoro-N-{(1R,5R)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3,4-dihydro-2(1H)-isoquinolinecarboxamide [ACD/IUPAC Name]
6-Fluoro-N-{(1R,5R)-8-[(6-fluoro-2-naphtyl)méthyl]-8-azabicyclo[3.2.1]oct-3-yl}-3,4-dihydro-2(1H)-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 623.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 16.34
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 35.52
ACD/KOC (pH 7.4): 100.81
Polar Surface Area: 36 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 349.9±5.0 cm3

Click to predict properties on the Chemicalize site


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