ChemSpider 2D Image | 2-[Cyclopentyl(methyl)amino]-1-[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.0~2,6~]undec-5-yl]ethanone | C23H32FN3O

2-[Cyclopentyl(methyl)amino]-1-[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undec-5-yl]ethanone

  • Molecular FormulaC23H32FN3O
  • Average mass385.518 Da
  • Monoisotopic mass385.252930 Da
  • ChemSpider ID30946755

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[Cyclopentyl(methyl)amino]-1-[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undec-5-yl]ethanone [ACD/IUPAC Name]
2-[Cyclopentyl(méthyl)amino]-1-[(2R,3R,6R)-3-(4-fluorophényl)-1,5-diazatricyclo[5.2.2.02,6]undéc-5-yl]éthanone [French] [ACD/IUPAC Name]
2-[Cyclopentyl(methyl)amino]-1-[(2R,3R,6R)-3-(4-fluorphenyl)-1,5-diazatricyclo[5.2.2.02,6]undec-5-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(cyclopentylmethylamino)-1-[(3R,3aR,7aR)-3-(4-fluorophenyl)hexahydro-4,7-ethano-4H-pyrrolo[3,2-b]pyridin-1(2H)-yl]- [ACD/Index Name]
N-{2-[(3R*,3aR*,7aR*)-3-(4-fluorophenyl)hexahydro-4,7-ethanopyrrolo[3,2-b]pyridin-1(2H)-yl]-2-oxoethyl}-N-methylcyclopentanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.5±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 10.83
Polar Surface Area: 27 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 316.4±5.0 cm3

Click to predict properties on the Chemicalize site


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