ChemSpider 2D Image | 4-[Benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide | C29H32N4O5S2

4-[Benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID22219743

More details:

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

4-[Benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamid [German] [ACD/IUPAC Name]
4-[Benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide [ACD/IUPAC Name]
4-[Benzyl(méthyl)sulfamoyl]-N-[2-(diéthylamino)éthyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-(diethylamino)ethyl]-N-1,3-dioxolo[4,5-f]benzothiazol-6-yl-4-[[methyl(phenylmethyl)amino]sulfonyl]- [ACD/Index 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: 715.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.4±35.7 °C
Index of Refraction: 1.654
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 9.12
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 74.36
ACD/KOC (pH 7.4): 336.90
Polar Surface Area: 129 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 430.9±3.0 cm3

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