ChemSpider 2D Image | 4-[(2',4'-Dimethyl-2-biphenylyl)methyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)tetrahydro-2H-pyran-4-carboxamide | C25H31NO4S

4-[(2',4'-Dimethyl-2-biphenylyl)methyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)tetrahydro-2H-pyran-4-carboxamide

  • Molecular FormulaC25H31NO4S
  • Average mass441.583 Da
  • Monoisotopic mass441.197388 Da
  • ChemSpider ID29876989

More details:

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

2H-Pyran-4-carboxamide, 4-[(2',4'-dimethyl[1,1'-biphenyl]-2-yl)methyl]tetrahydro-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
4-[(2',4'-Dimethyl-2-biphenylyl)methyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
4-[(2',4'-Dimethyl-2-biphenylyl)methyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
4-[(2',4'-Diméthyl-2-biphénylyl)méthyl]-N-(1,1-dioxydotétrahydro-3-thiophényl)tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.94
ACD/KOC (pH 5.5): 1262.41
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.94
ACD/KOC (pH 7.4): 1262.41
Polar Surface Area: 81 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 353.8±5.0 cm3

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