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Search term: QJXHXKPITHZZRI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-Ethyl-N-[1-(4-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | C18H22N2OS

5-Ethyl-N-[1-(4-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

  • Molecular FormulaC18H22N2OS
  • Average mass314.445 Da
  • Monoisotopic mass314.145294 Da
  • ChemSpider ID21797874

More details:

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

5-Ethyl-N-[1-(4-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
5-Ethyl-N-[1-(4-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
5-Éthyl-N-[1-(4-pyridinyl)éthyl]-4,5,6,7-tétrahydro-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 5-ethyl-4,5,6,7-tetrahydro-N-[1-(4-pyridinyl)ethyl]- [ACD/Index Name]
5-Ethyl-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid (1-pyridin-4-yl-ethyl)-amide
5-ethyl-N-[1-(pyridin-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
MFCD09872973

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

Density: 1.1±0.1 g/cm3
Boiling Point: 484.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 247.0±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 245.45
ACD/KOC (pH 5.5): 1359.42
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.71
ACD/KOC (pH 7.4): 3493.10
Polar Surface Area: 70 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 274.8±3.0 cm3

Click to predict properties on the Chemicalize site


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