ChemSpider 2D Image | 4-{2-[2-{[Butyl(2-hydroxyethyl)amino]methyl}-5-(heptyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}benzenesulfonamide | C27H43N3O5S

4-{2-[2-{[Butyl(2-hydroxyethyl)amino]methyl}-5-(heptyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}benzenesulfonamide

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID123988884

More details:

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

4-{2-[2-{[Butyl(2-hydroxyethyl)amino]methyl}-5-(heptyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}benzenesulfonamide [ACD/IUPAC Name]
4-{2-[2-{[Butyl(2-hydroxyéthyl)amino]méthyl}-5-(heptyloxy)-4-oxo-1(4H)-pyridinyl]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{2-[2-{[Butyl(2-hydroxyethyl)amino]methyl}-5-(heptyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-[2-[[butyl(2-hydroxyethyl)amino]methyl]-5-(heptyloxy)-4-oxo-1(4H)-pyridinyl]ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 5.90
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 35.78
ACD/KOC (pH 7.4): 180.63
Polar Surface Area: 122 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

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