ChemSpider 2D Image | Methyl 1-({[4-(4-morpholinylsulfonyl)phenyl]sulfonyl}amino)cycloheptanecarboxylate | C19H28N2O7S2

Methyl 1-({[4-(4-morpholinylsulfonyl)phenyl]sulfonyl}amino)cycloheptanecarboxylate

  • Molecular FormulaC19H28N2O7S2
  • Average mass460.565 Da
  • Monoisotopic mass460.133789 Da
  • ChemSpider ID21940680

More details:

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

1-({[4-(4-Morpholinylsulfonyl)phényl]sulfonyl}amino)cycloheptanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cycloheptanecarboxylic acid, 1-[[[4-(4-morpholinylsulfonyl)phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 1-({[4-(4-morpholinylsulfonyl)phenyl]sulfonyl}amino)cycloheptanecarboxylate [ACD/IUPAC Name]
Methyl-1-({[4-(4-morpholinylsulfonyl)phenyl]sulfonyl}amino)cycloheptancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.2±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.98
ACD/KOC (pH 5.5): 727.92
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.18
ACD/KOC (pH 7.4): 667.63
Polar Surface Area: 136 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 326.8±5.0 cm3

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