ChemSpider 2D Image | 4-[Bis(2-cyanoethyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide | C29H34N6O4S2

4-[Bis(2-cyanoethyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide

  • Molecular FormulaC29H34N6O4S2
  • Average mass594.748 Da
  • Monoisotopic mass594.208313 Da
  • ChemSpider ID49267496

More details:

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

4-[Bis(2-cyanethyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamid [German] [ACD/IUPAC Name]
4-[Bis(2-cyanoethyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide [ACD/IUPAC Name]
4-[Bis(2-cyanoéthyl)sulfamoyl]-N-(5,6-diméthyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[bis(2-cyanoethyl)amino]sulfonyl]-N-(5,6-dimethyl-2-benzothiazolyl)-N-[3-(4-morpholinyl)propyl]- [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: 812.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 445.2±37.1 °C
Index of Refraction: 1.622
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 41.48
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 103.23
ACD/KOC (pH 7.4): 881.55
Polar Surface Area: 167 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 452.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement