ChemSpider 2D Image | Ethyl {2-[(4-benzoylbenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetate | C25H21N3O6S2

Ethyl {2-[(4-benzoylbenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetate

  • Molecular FormulaC25H21N3O6S2
  • Average mass523.581 Da
  • Monoisotopic mass523.087158 Da
  • ChemSpider ID35315651

More details:

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

{2-[(4-Benzoylbenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 6-(aminosulfonyl)-2-[(4-benzoylbenzoyl)imino]-, ethyl ester [ACD/Index Name]
Ethyl {2-[(4-benzoylbenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetate [ACD/IUPAC Name]
Ethyl-{2-[(4-benzoylbenzoyl)imino]-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl}acetat [German] [ACD/IUPAC Name]
865247-65-0 [RN]
ethyl 2-[(2Z)-2-[(4-benzoylbenzoyl)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: 1.4±0.1 g/cm3
Boiling Point: 758.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.91
ACD/KOC (pH 5.5): 807.85
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.24
ACD/KOC (pH 7.4): 801.23
Polar Surface Area: 170 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 365.0±7.0 cm3

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