ChemSpider 2D Image | 5-[2-(Cyclohexylamino)pyridin-4-Yl]-4-Naphthalen-2-Yl-2-(Tetrahydro-2h-Pyran-4-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One | C28H31N5O2

5-[2-(Cyclohexylamino)pyridin-4-Yl]-4-Naphthalen-2-Yl-2-(Tetrahydro-2h-Pyran-4-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One

  • Molecular FormulaC28H31N5O2
  • Average mass469.578 Da
  • Monoisotopic mass469.247772 Da
  • ChemSpider ID26325852

More details:

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

5-[2-(Cyclohexylamino)pyridin-4-Yl]-4-Naphthalen-2-Yl-2-(Tetrahydro-2h-Pyran-4-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One
3H-1,2,4-Triazol-3-one, 5-[2-(cyclohexylamino)-4-pyridinyl]-2,4-dihydro-4-(2-naphthalenyl)-2-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
5-[2-(Cyclohexylamino)-4-pyridinyl]-4-(2-naphthyl)-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-[2-(Cyclohexylamino)-4-pyridinyl]-4-(2-naphthyl)-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-[2-(Cyclohexylamino)-4-pyridinyl]-4-(2-naphtyl)-2-(tétrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]

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

589 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 142.74
ACD/KOC (pH 5.5): 799.62
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 593.21
ACD/KOC (pH 7.4): 3323.02
Polar Surface Area: 70 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 351.2±7.0 cm3

Click to predict properties on the Chemicalize site


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