ChemSpider 2D Image | 4-(3-Hexyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide | C30H37N5O4S

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

  • Molecular FormulaC30H37N5O4S
  • Average mass563.711 Da
  • Monoisotopic mass563.256653 Da
  • ChemSpider ID8523324

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(3-Hexyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide [ACD/IUPAC Name]
4-(3-Hexyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)éthyl]amino}éthyl)phényl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-(3-Hexyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-(3-hexyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]benzenesulfonamide
Benzenesulfonamide, 4-(3-hexyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
1-Heptanoyl-2,3-dihydro-1H-indole-5-sulfonic acid phenylamide
4-(3-hexyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]benzene-1-sulfonamide
4-(3-Hexyl-2-oxo-2,3-dihydro-imidazol-1-yl)-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
4-(3-Hexyl-2-oxo-2,3-dihydro-imidazol-1-yl)-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CHEMBL22386
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 744.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.1±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 20.62
ACD/KOC (pH 7.4): 144.46
Polar Surface Area: 123 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 444.4±3.0 cm3

Click to predict properties on the Chemicalize site


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