ChemSpider 2D Image | N-[3-(2-Methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-4-nitrobenzamide | C17H16N4O6S2

N-[3-(2-Methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-4-nitrobenzamide

  • Molecular FormulaC17H16N4O6S2
  • Average mass436.462 Da
  • Monoisotopic mass436.051117 Da
  • ChemSpider ID35314312

More details:

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

Benzamide, N-[6-(aminosulfonyl)-3-(2-methoxyethyl)-2(3H)-benzothiazolylidene]-4-nitro- [ACD/Index Name]
N-[3-(2-Methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-yliden]-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-[3-(2-Methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-4-nitrobenzamide [ACD/IUPAC Name]
N-[3-(2-Méthoxyéthyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidène]-4-nitrobenzamide [French] [ACD/IUPAC Name]
864977-53-7 [RN]
N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 699.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.53
ACD/KOC (pH 5.5): 224.57
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.43
ACD/KOC (pH 7.4): 222.91
Polar Surface Area: 182 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 70.9±7.0 dyne/cm
Molar Volume: 275.9±7.0 cm3

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