ChemSpider 2D Image | 1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-{1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl}ethanone | C20H21F3N4O

1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-{1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl}ethanone

  • Molecular FormulaC20H21F3N4O
  • Average mass390.402 Da
  • Monoisotopic mass390.166748 Da
  • ChemSpider ID114856397

More details:

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

1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-{1-[2-(trifluormethyl)-4-pyridinyl]-3-azetidinyl}ethanon [German] [ACD/IUPAC Name]
1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-{1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl}ethanone [ACD/IUPAC Name]
1-(2,4-Diméthyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-{1-[2-(trifluorométhyl)-4-pyridinyl]-3-azétidinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(5,7-dihydro-2,4-dimethyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl]- [ACD/Index Name]
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl]ethanone
2170722-84-4 [RN]
Emraclidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 12.36
ACD/KOC (pH 5.5): 146.50
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.10
ACD/KOC (pH 7.4): 510.96
Polar Surface Area: 49 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 295.6±3.0 cm3

Click to predict properties on the Chemicalize site


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