ChemSpider 2D Image | N-[3-(Methylsulfanyl)cyclohexyl]-4-phenyltetrahydro-2H-pyran-4-carboxamide | C19H27NO2S

N-[3-(Methylsulfanyl)cyclohexyl]-4-phenyltetrahydro-2H-pyran-4-carboxamide

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID30227269

More details:






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

2H-Pyran-4-carboxamide, tetrahydro-N-[3-(methylthio)cyclohexyl]-4-phenyl- [ACD/Index Name]
N-[3-(Methylsulfanyl)cyclohexyl]-4-phenyltetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
N-[3-(Methylsulfanyl)cyclohexyl]-4-phenyltetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
N-[3-(Méthylsulfanyl)cyclohexyl]-4-phényltétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]
N-[3-(METHYLSULFANYL)CYCLOHEXYL]-4-PHENYLOXANE-4-CARBOXAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 243.28
ACD/KOC (pH 5.5): 1776.58
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 243.28
ACD/KOC (pH 7.4): 1776.58
Polar Surface Area: 64 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 291.7±5.0 cm3

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