ChemSpider 2D Image | (1R,2R,6S,7S)-4-(7-Fluoro-4-quinazolinyl)-4-azatricyclo[5.2.1.0~2,6~]decane | C17H18FN3

(1R,2R,6S,7S)-4-(7-Fluoro-4-quinazolinyl)-4-azatricyclo[5.2.1.02,6]decane

  • Molecular FormulaC17H18FN3
  • Average mass283.343 Da
  • Monoisotopic mass283.148468 Da
  • ChemSpider ID29485587

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,6S,7S)-4-(7-Fluor-4-chinazolinyl)-4-azatricyclo[5.2.1.02,6]decan [German] [ACD/IUPAC Name]
(1R,2R,6S,7S)-4-(7-Fluoro-4-quinazolinyl)-4-azatricyclo[5.2.1.02,6]decane [ACD/IUPAC Name]
(1R,2R,6S,7S)-4-(7-Fluoro-4-quinazolinyl)-4-azatricyclo[5.2.1.02,6]décane [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole, 2-(7-fluoro-4-quinazolinyl)octahydro-, (3aR,4R,7S,7aS)- [ACD/Index Name]
(1R*,2R*,6S*,7S*)-4-(7-fluoroquinazolin-4-yl)-4-azatricyclo[5.2.1.02,6]decane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 443.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.1±23.2 °C
Index of Refraction: 1.646
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 7.95
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 19.90
Polar Surface Area: 29 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 219.5±3.0 cm3

Click to predict properties on the Chemicalize site


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