ChemSpider 2D Image | N-[3-(2-Ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-(2-methyl-2-propanyl)benzamide | C23H28N2O4S2

N-[3-(2-Ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC23H28N2O4S2
  • Average mass460.609 Da
  • Monoisotopic mass460.149048 Da
  • ChemSpider ID35314616

More details:

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

Benzamide, 4-(1,1-dimethylethyl)-N-[3-(2-ethoxyethyl)-6-(methylsulfonyl)-2(3H)-benzothiazolylidene]- [ACD/Index Name]
N-[3-(2-Ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-yliden]-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-[3-(2-Ethoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-[3-(2-Éthoxyéthyl)-6-(méthylsulfonyl)-1,3-benzothiazol-2(3H)-ylidène]-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
4-tert-butyl-N-[(2Z)-3-(2-ethoxyethyl)-6-methanesulfonyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
865173-71-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 783.75
ACD/KOC (pH 5.5): 4104.43
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 783.75
ACD/KOC (pH 7.4): 4104.43
Polar Surface Area: 110 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 372.1±7.0 cm3

Click to predict properties on the Chemicalize site


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