ChemSpider 2D Image | N-[(2S,3R)-4-{[6-(2,2-Dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamide | C26H38N2O3S

N-[(2S,3R)-4-{[6-(2,2-Dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamide

  • Molecular FormulaC26H38N2O3S
  • Average mass458.656 Da
  • Monoisotopic mass458.260315 Da
  • ChemSpider ID28664613

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acetamide, N-[(1S,2R)-3-[[6-(2,2-dimethylpropyl)-3,4-dihydro-2,2-dimethyl-2H-thieno[2,3-b]pyran-4-yl]amino]-2-hydroxy-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-[(2S,3R)-4-{[6-(2,2-Dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{[6-(2,2-Dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{[6-(2,2-Diméthylpropyl)-2,2-diméthyl-3,4-dihydro-2H-thiéno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phényl-2-butanyl]acétamide [French] [ACD/IUPAC 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: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 102.94
ACD/KOC (pH 5.5): 327.73
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 2897.59
ACD/KOC (pH 7.4): 9224.78
Polar Surface Area: 99 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 399.1±5.0 cm3

Click to predict properties on the Chemicalize site


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