ChemSpider 2D Image | N-{3-[(Cyclopentyloxy)methyl]benzyl}tetrahydro-2H-thiopyran-4-carboxamide | C19H27NO2S

N-{3-[(Cyclopentyloxy)methyl]benzyl}tetrahydro-2H-thiopyran-4-carboxamide

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID34437192

More details:






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

2H-Thiopyran-4-carboxamide, N-[[3-[(cyclopentyloxy)methyl]phenyl]methyl]tetrahydro- [ACD/Index Name]
N-{3-[(Cyclopentyloxy)methyl]benzyl}tetrahydro-2H-thiopyran-4-carboxamid [German] [ACD/IUPAC Name]
N-{3-[(Cyclopentyloxy)methyl]benzyl}tetrahydro-2H-thiopyran-4-carboxamide [ACD/IUPAC Name]
N-{3-[(Cyclopentyloxy)méthyl]benzyl}tétrahydro-2H-thiopyrane-4-carboxamide [French] [ACD/IUPAC Name]
N-({3-[(CYCLOPENTYLOXY)METHYL]PHENYL}METHYL)THIANE-4-CARBOXAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 646.97
ACD/KOC (pH 5.5): 3577.96
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 646.97
ACD/KOC (pH 7.4): 3577.96
Polar Surface Area: 64 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

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