ChemSpider 2D Image | 4-(2-{2-[(Dibutylamino)methyl]-5-(2-isopropoxyethoxy)-4-oxo-1(4H)-pyridinyl}ethyl)benzenesulfonamide | C27H43N3O5S

4-(2-{2-[(Dibutylamino)methyl]-5-(2-isopropoxyethoxy)-4-oxo-1(4H)-pyridinyl}ethyl)benzenesulfonamide

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID124033846

More details:

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

4-(2-{2-[(Dibutylamino)methyl]-5-(2-isopropoxyethoxy)-4-oxo-1(4H)-pyridinyl}ethyl)benzenesulfonamide [ACD/IUPAC Name]
4-(2-{2-[(Dibutylamino)méthyl]-5-(2-isopropoxyéthoxy)-4-oxo-1(4H)-pyridinyl}éthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-(2-{2-[(Dibutylamino)methyl]-5-(2-isopropoxyethoxy)-4-oxo-1(4H)-pyridinyl}ethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-[2-[(dibutylamino)methyl]-5-[2-(1-methylethoxy)ethoxy]-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: 653.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 11.20
Polar Surface Area: 111 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 444.3±5.0 cm3

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