ChemSpider 2D Image | 4-[({2-[(2R)-4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-3,4-dihydro-1(2H)-pyrazinyl]-5-pyrimidinyl}oxy)methyl]nicotinonitrile | C21H22N8O2

4-[({2-[(2R)-4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-3,4-dihydro-1(2H)-pyrazinyl]-5-pyrimidinyl}oxy)methyl]nicotinonitrile

  • Molecular FormulaC21H22N8O2
  • Average mass418.452 Da
  • Monoisotopic mass418.186584 Da
  • ChemSpider ID68005704
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-Pyridinecarbonitrile, 4-[[[2-[(2R)-3,4-dihydro-2-methyl-4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-1(2H)-pyrazinyl]-5-pyrimidinyl]oxy]methyl]- [ACD/Index Name]
4-[({2-[(2R)-4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-3,4-dihydro-1(2H)-pyrazinyl]-5-pyrimidinyl}oxy)methyl]nicotinonitril [German] [ACD/IUPAC Name]
4-[({2-[(2R)-4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-3,4-dihydro-1(2H)-pyrazinyl]-5-pyrimidinyl}oxy)methyl]nicotinonitrile [ACD/IUPAC Name]
4-[({2-[(2R)-4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-méthyl-3,4-dihydro-1(2H)-pyrazinyl]-5-pyrimidinyl}oxy)méthyl]nicotinonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.02
ACD/KOC (pH 5.5): 181.04
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.04
ACD/KOC (pH 7.4): 181.41
Polar Surface Area: 117 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 306.1±5.0 cm3

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