ChemSpider 2D Image | N-(3,4-Dimethoxyphenyl)-4-[4-({(2S)-2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]benzenesulfonamide | C29H35N5O7S

N-(3,4-Dimethoxyphenyl)-4-[4-({(2S)-2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]benzenesulfonamide

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID8386245

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, 4-[4-[[(2S)-3-[(2,3-dihydro-2-oxo-1H-benzimidazol-4-yl)oxy]-2-hydroxypropyl]amino]-1-piperidinyl]-N-(3,4-dimethoxyphenyl)- [ACD/Index Name]
N-(3,4-Dimethoxyphenyl)-4-[4-({(2S)-2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]benzenesulfonamide [ACD/IUPAC Name]
N-(3,4-Diméthoxyphényl)-4-[4-({(2S)-2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-pipéridinyl]benzènesulfonamide [French] [ACD/IUPAC Name]
N-(3,4-Dimethoxyphenyl)-4-[4-({(2S)-2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-4-yl)oxy]propyl}amino)-1-piperidinyl]benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 28.03
Polar Surface Area: 159 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

Click to predict properties on the Chemicalize site


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