ChemSpider 2D Image | Ethyl {2-[(2-methoxybenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetate | C19H19N3O6S2

Ethyl {2-[(2-methoxybenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetate

  • Molecular FormulaC19H19N3O6S2
  • Average mass449.501 Da
  • Monoisotopic mass449.071533 Da
  • ChemSpider ID35315699

More details:

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

{2-[(2-Méthoxybenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 6-(aminosulfonyl)-2-[(2-methoxybenzoyl)imino]-, ethyl ester [ACD/Index Name]
Ethyl {2-[(2-methoxybenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetate [ACD/IUPAC Name]
Ethyl-{2-[(2-methoxybenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetat [German] [ACD/IUPAC Name]
865248-18-6 [RN]
ethyl 2-[(2Z)-2-[(2-methoxybenzoyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 683.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.70
ACD/KOC (pH 5.5): 249.79
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.57
ACD/KOC (pH 7.4): 247.74
Polar Surface Area: 162 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 305.6±7.0 cm3

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