ChemSpider 2D Image | N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]-4-(3-octyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzenesulfonamide | C32H41N5O4S

N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]-4-(3-octyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzenesulfonamide

  • Molecular FormulaC32H41N5O4S
  • Average mass591.764 Da
  • Monoisotopic mass591.287903 Da
  • ChemSpider ID23172193

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, 4-(2,3-dihydro-3-octyl-2-oxo-1H-imidazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]-4-(3-octyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzenesulfonamide [ACD/IUPAC Name]
N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)éthyl]amino}éthyl)phényl]-4-(3-octyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]-4-(3-octyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]-4-(3-octyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzenesulfonamide
CHEMBL83753
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(3-octyl-2-oxo-2,3-dihydro-imidazol-1-yl)-benzenesulfonamide
N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(3-octyl-2-oxo-2,3-dihydro-imidazol-1-yl)-benzenesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.7±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 166.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 15.21
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 188.37
ACD/KOC (pH 7.4): 703.78
Polar Surface Area: 123 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

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