ChemSpider 2D Image | 2-Methoxy-5-{[4-(methylsulfonyl)-1-azepanyl]sulfonyl}benzoic acid | C15H21NO7S2

2-Methoxy-5-{[4-(methylsulfonyl)-1-azepanyl]sulfonyl}benzoic acid

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID67971949

More details:

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

2-Methoxy-5-{[4-(methylsulfonyl)-1-azepanyl]sulfonyl}benzoesäure [German] [ACD/IUPAC Name]
2-Methoxy-5-{[4-(methylsulfonyl)-1-azepanyl]sulfonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-méthoxy-5-{[4-(méthylsulfonyl)-1-azépanyl]sulfonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[hexahydro-4-(methylsulfonyl)-1H-azepin-1-yl]sulfonyl]-2-methoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 652.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.6±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 264.5±5.0 cm3

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