ChemSpider 2D Image | N-(4,7-Dimethoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-(isopropylsulfonyl)benzamide | C20H22N2O5S2

N-(4,7-Dimethoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-(isopropylsulfonyl)benzamide

  • Molecular FormulaC20H22N2O5S2
  • Average mass434.529 Da
  • Monoisotopic mass434.097015 Da
  • ChemSpider ID72092562

More details:

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

Benzamide, N-(4,7-dimethoxy-3-methyl-2(3H)-benzothiazolylidene)-3-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
N-(4,7-Dimethoxy-3-methyl-1,3-benzothiazol-2(3H)-yliden)-3-(isopropylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-(4,7-Dimethoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-(isopropylsulfonyl)benzamide [ACD/IUPAC Name]
N-(4,7-Diméthoxy-3-méthyl-1,3-benzothiazol-2(3H)-ylidène)-3-(isopropylsulfonyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.3±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.15
ACD/KOC (pH 5.5): 900.50
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.15
ACD/KOC (pH 7.4): 900.50
Polar Surface Area: 119 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 325.1±7.0 cm3

Click to predict properties on the Chemicalize site


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