ChemSpider 2D Image | Hexyl N-[2-(1-benzyl-4-piperidinyl)ethyl]-N~2~-(thieno[2,3-b]pyridin-2-ylcarbonyl)-L-glutaminate | C33H44N4O4S

Hexyl N-[2-(1-benzyl-4-piperidinyl)ethyl]-N2-(thieno[2,3-b]pyridin-2-ylcarbonyl)-L-glutaminate

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID24662297

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Hexyl N-[2-(1-benzyl-4-piperidinyl)ethyl]-N2-(thieno[2,3-b]pyridin-2-ylcarbonyl)-L-glutaminate [ACD/IUPAC Name]
Hexyl-N-[2-(1-benzyl-4-piperidinyl)ethyl]-N2-(thieno[2,3-b]pyridin-2-ylcarbonyl)-L-glutaminat [German] [ACD/IUPAC Name]
L-Glutamine, N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-N2-(thieno[2,3-b]pyridin-2-ylcarbonyl)-, hexyl ester [ACD/Index Name]
N-[2-(1-Benzyl-4-pipéridinyl)éthyl]-N2-(thiéno[2,3-b]pyridin-2-ylcarbonyl)-L-glutaminate d'hexyle [French] [ACD/IUPAC Name]
(S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)-5-oxo-2-(thieno[2,3-b]pyridine-2-carboxamido)pentanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 809.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 443.2±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 23.84
ACD/KOC (pH 5.5): 50.06
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 669.51
ACD/KOC (pH 7.4): 1405.92
Polar Surface Area: 129 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 506.3±3.0 cm3

Click to predict properties on the Chemicalize site


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