ChemSpider 2D Image | 3-[3-(4-Morpholinyl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide | C29H42N4O4S

3-[3-(4-Morpholinyl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide

  • Molecular FormulaC29H42N4O4S
  • Average mass542.733 Da
  • Monoisotopic mass542.292664 Da
  • ChemSpider ID23192463

More details:

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

3-[3-(4-Morpholinyl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide [ACD/IUPAC Name]
3-[3-(4-Morpholinyl)-3-oxo-2-{[(2,4,6-triisopropylphényl)sulfonyl]amino}propyl]benzènecarboximidamide [French] [ACD/IUPAC Name]
3-[3-(4-Morpholinyl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzolcarboximidamid [German] [ACD/IUPAC Name]
3-[3-(morpholin-4-yl)-3-oxo-2-({[2,4,6-tri(propan-2-yl)phenyl]sulfonyl}amino)propyl]benzenecarboximidamide
Benzenecarboximidamide, 3-[3-(4-morpholinyl)-3-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]- [ACD/Index Name]
3-[3-Morpholin-4-yl-3-oxo-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propyl]-benzamidine
CHEMBL106412

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 150.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 30.92
ACD/KOC (pH 5.5): 109.61
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 30.72
ACD/KOC (pH 7.4): 108.90
Polar Surface Area: 134 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

Click to predict properties on the Chemicalize site


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