ChemSpider 2D Image | compound 2 [PMID: 21939274] | C24H24N6O

compound 2 [PMID: 21939274]

  • Molecular FormulaC24H24N6O
  • Average mass412.487 Da
  • Monoisotopic mass412.201172 Da
  • ChemSpider ID34980819

More details:






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

3-Pyridinecarbonitrile, 5-(4-cyano-3-methylphenyl)-2-[4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]- [ACD/Index Name]
5-(4-Cyan-3-methylphenyl)-2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]nicotinonitril [German] [ACD/IUPAC Name]
5-(4-Cyano-3-methylphenyl)-2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]nicotinonitrile [ACD/IUPAC Name]
5-(4-Cyano-3-méthylphényl)-2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-pipéridinyl]nicotinonitrile [French] [ACD/IUPAC Name]
compound 2 [PMID: 21939274]
5-(4-cyano-3-methylphenyl)-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pyridine-3-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.3±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1752.75
ACD/KOC (pH 5.5): 7180.10
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1858.45
ACD/KOC (pH 7.4): 7613.08
Polar Surface Area: 103 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 323.5±5.0 cm3

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