ChemSpider 2D Image | N-[(2E)-3-(2-Methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-[(4-methylphenyl)sulfonyl]butanamide | C22H26N2O6S3

N-[(2E)-3-(2-Methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-[(4-methylphenyl)sulfonyl]butanamide

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID20871309

  • Double-bond stereo - Double-bond stereo

More details:

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

Butanamide, N-[(2E)-3-(2-methoxyethyl)-6-(methylsulfonyl)-2(3H)-benzothiazolylidene]-4-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
N-[(2E)-3-(2-Methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-yliden]-4-[(4-methylphenyl)sulfonyl]butanamid [German] [ACD/IUPAC Name]
N-[(2E)-3-(2-Methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-[(4-methylphenyl)sulfonyl]butanamide [ACD/IUPAC Name]
N-[(2E)-3-(2-Méthoxyéthyl)-6-(méthylsulfonyl)-1,3-benzothiazol-2(3H)-ylidène]-4-[(4-méthylphényl)sulfonyl]butanamide [French] [ACD/IUPAC Name]
(E)-N-(3-(2-methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-4-tosylbutanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 755.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.9±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.31
ACD/KOC (pH 5.5): 267.90
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.31
ACD/KOC (pH 7.4): 267.90
Polar Surface Area: 152 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 372.6±7.0 cm3

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