ChemSpider 2D Image | (E)-2-(5-Chloro-2-thienyl)-N-{1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}ethenesulfonamide | C17H22ClN3O5S2

(E)-2-(5-Chloro-2-thienyl)-N-{1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}ethenesulfonamide

  • Molecular FormulaC17H22ClN3O5S2
  • Average mass447.957 Da
  • Monoisotopic mass447.068939 Da
  • ChemSpider ID57261100

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(E)-2-(5-Chlor-2-thienyl)-N-{1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}ethensulfonamid [German] [ACD/IUPAC Name]
(E)-2-(5-Chloro-2-thienyl)-N-{1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}ethenesulfonamide [ACD/IUPAC Name]
(E)-2-(5-Chloro-2-thiényl)-N-{1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}éthènesulfonamide [French] [ACD/IUPAC Name]
Ethenesulfonamide, 2-(5-chloro-2-thienyl)-N-[1-[(1S)-1-methyl-2-(4-morpholinyl)-2-oxoethyl]-2-oxo-3-pyrrolidinyl]-, (E)- [ACD/Index Name]
478644-12-1 [RN]
GW-813893

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

Density: 1.5±0.1 g/cm3
Boiling Point: 698.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.3±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 151.93
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 151.20
Polar Surface Area: 133 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 300.6±5.0 cm3

Click to predict properties on the Chemicalize site


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