ChemSpider 2D Image | N-{5-[2-(4-Morpholinyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide | C15H21N7O3S2

N-{5-[2-(4-Morpholinyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide

  • Molecular FormulaC15H21N7O3S2
  • Average mass411.502 Da
  • Monoisotopic mass411.114716 Da
  • ChemSpider ID23482502

More details:

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

2,1,3-Benzothiadiazole-4-sulfonamide, N-[1,4,5,6-tetrahydro-5-[2-(4-morpholinyl)ethyl]-1,3,5-triazin-2-yl]- [ACD/Index Name]
N-{5-[2-(4-Morpholinyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-2,1,3-benzothiadiazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-{5-[2-(4-Morpholinyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide [ACD/IUPAC Name]
N-{5-[2-(4-Morpholinyl)éthyl]-1,4,5,6-tétrahydro-1,3,5-triazin-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-{5-[2-(Morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 572.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.3±32.9 °C
Index of Refraction: 1.782
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.52
Polar Surface Area: 149 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 246.4±7.0 cm3

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