ChemSpider 2D Image | N-(2-{[(1S)-2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl][(2S)-tetrahydro-2-furanylmethyl]amino}-2-oxoethyl)-2-thiophenecarboxamide | C25H32N4O4S

N-(2-{[(1S)-2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl][(2S)-tetrahydro-2-furanylmethyl]amino}-2-oxoethyl)-2-thiophenecarboxamide

  • Molecular FormulaC25H32N4O4S
  • Average mass484.611 Da
  • Monoisotopic mass484.214417 Da
  • ChemSpider ID62575889

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridineacetamide, N-cyclohexyl-α-[[[(2S)-tetrahydro-2-furanyl]methyl][2-[(2-thienylcarbonyl)amino]acetyl]amino]-, (αS)- [ACD/Index Name]
N-(2-{[(1S)-2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl][(2S)-tetrahydro-2-furanylmethyl]amino}-2-oxoethyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-(2-{[(1S)-2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl][(2S)-tetrahydro-2-furanylmethyl]amino}-2-oxoethyl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-(2-{[(1S)-2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)éthyl][(2S)-tétrahydro-2-furanylméthyl]amino}-2-oxoéthyl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.4±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.52
ACD/KOC (pH 5.5): 187.00
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.64
ACD/KOC (pH 7.4): 189.09
Polar Surface Area: 129 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

Click to predict properties on the Chemicalize site


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