ChemSpider 2D Image | [(7'R,8a'S)-1-(4,4-Difluorocyclohexyl)-7'-hydroxytetrahydro-1'H-spiro[azetidine-3,4'-pyrrolo[1,2-a]pyrazin]-2'(3'H)-yl](3-pyridinyl)methanone | C21H28F2N4O2

[(7'R,8a'S)-1-(4,4-Difluorocyclohexyl)-7'-hydroxytetrahydro-1'H-spiro[azetidine-3,4'-pyrrolo[1,2-a]pyrazin]-2'(3'H)-yl](3-pyridinyl)methanone

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID65058831

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(7'R,8a'S)-1-(4,4-Difluorocyclohexyl)-7'-hydroxytetrahydro-1'H-spiro[azetidine-3,4'-pyrrolo[1,2-a]pyrazin]-2'(3'H)-yl](3-pyridinyl)methanone [ACD/IUPAC Name]
Methanone, [(7'R,8a'S)-1-(4,4-difluorocyclohexyl)tetrahydro-7'-hydroxyspiro[azetidine-3,4'(1'H)-pyrrolo[1,2-a]pyrazin]-2'(3'H)-yl]-3-pyridinyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 60 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 295.4±5.0 cm3

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