ChemSpider 2D Image | 2-(Benzylsulfanyl)-3-methyl-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]butanamide | C24H31NO2S

2-(Benzylsulfanyl)-3-methyl-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]butanamide

  • Molecular FormulaC24H31NO2S
  • Average mass397.573 Da
  • Monoisotopic mass397.207550 Da
  • ChemSpider ID69906076

More details:

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

2-(Benzylsulfanyl)-3-methyl-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]butanamid [German] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-3-methyl-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]butanamide [ACD/IUPAC Name]
2-(Benzylsulfanyl)-3-méthyl-N-[(4-phényltétrahydro-2H-pyran-4-yl)méthyl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 3-methyl-2-[(phenylmethyl)thio]-N-[(tetrahydro-4-phenyl-2H-pyran-4-yl)methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.6±27.3 °C
Index of Refraction: 1.564
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3063.33
ACD/KOC (pH 5.5): 10889.60
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3063.33
ACD/KOC (pH 7.4): 10889.60
Polar Surface Area: 64 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 361.6±3.0 cm3

Click to predict properties on the Chemicalize site


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