ChemSpider 2D Image | 3-(Benzylsulfonyl)-N-[(2E)-3-(2-ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]propanamide | C22H26N2O6S3

3-(Benzylsulfonyl)-N-[(2E)-3-(2-ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]propanamide

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID21072094

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(Benzylsulfonyl)-N-[(2E)-3-(2-ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-yliden]propanamid [German] [ACD/IUPAC Name]
3-(Benzylsulfonyl)-N-[(2E)-3-(2-ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]propanamide [ACD/IUPAC Name]
3-(Benzylsulfonyl)-N-[(2E)-3-(2-éthoxyéthyl)-6-(méthylsulfonyl)-1,3-benzothiazol-2(3H)-ylidène]propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2E)-3-(2-ethoxyethyl)-6-(methylsulfonyl)-2(3H)-benzothiazolylidene]-3-[(phenylmethyl)sulfonyl]- [ACD/Index Name]
(E)-3-(benzylsulfonyl)-N-(3-(2-ethoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)propanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.3±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.51
ACD/KOC (pH 5.5): 270.13
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.51
ACD/KOC (pH 7.4): 270.13
Polar Surface Area: 152 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 373.5±7.0 cm3

Click to predict properties on the Chemicalize site


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