ChemSpider 2D Image | N-{4-[(2R)-2-Hydroxy-3-({2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}amino)propoxy]phenyl}methanesulfonamide | C21H26N4O5S

N-{4-[(2R)-2-Hydroxy-3-({2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}amino)propoxy]phenyl}methanesulfonamide

  • Molecular FormulaC21H26N4O5S
  • Average mass446.520 Da
  • Monoisotopic mass446.162384 Da
  • ChemSpider ID25043838
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Methanesulfonamide, N-[4-[(2R)-2-hydroxy-3-[[2-[4-(1H-imidazol-1-yl)phenoxy]ethyl]amino]propoxy]phenyl]- [ACD/Index Name]
N-{4-[(2R)-2-Hydroxy-3-({2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}amino)propoxy]phenyl}methanesulfonamide [ACD/IUPAC Name]
N-{4-[(2R)-2-Hydroxy-3-({2-[4-(1H-imidazol-1-yl)phénoxy]éthyl}amino)propoxy]phényl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{4-[(2R)-2-Hydroxy-3-({2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}amino)propoxy]phenyl}methansulfonamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 689.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.67
Polar Surface Area: 123 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 339.5±7.0 cm3

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