ChemSpider 2D Image | lemborexant | C22H20F2N4O2

lemborexant

  • Molecular FormulaC22H20F2N4O2
  • Average mass410.417 Da
  • Monoisotopic mass410.155426 Da
  • ChemSpider ID34500836
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2S)-2-{[(2,4-Dimethyl-5-pyrimidinyl)oxy]methyl}-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1R,2S)-2-{[(2,4-Diméthyl-5-pyrimidinyl)oxy]méthyl}-2-(3-fluorophényl)-N-(5-fluoro-2-pyridinyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
(1R,2S)-2-{[(2,4-Dimethyl-5-pyrimidinyl)oxy]methyl}-2-(3-fluorphenyl)-N-(5-fluor-2-pyridinyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
0K5743G68X
1369764-02-2 [RN]
9988
Cyclopropanecarboxamide, 2-[[(2,4-dimethyl-5-pyrimidinyl)oxy]methyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-, (1R,2S)- [ACD/Index Name]
lemborexant [INN] [USAN]
lemborexant [Spanish] [INN]
lemborexant [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

E2006 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 187.17
ACD/KOC (pH 5.5): 1471.60
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 187.60
ACD/KOC (pH 7.4): 1474.95
Polar Surface Area: 77 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

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