ChemSpider 2D Image | 2-[3-(2-{[(2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]-N-[3-(trifluoromethyl)benzyl]acetamide | C29H34F3N3O5S

2-[3-(2-{[(2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]-N-[3-(trifluoromethyl)benzyl]acetamide

  • Molecular FormulaC29H34F3N3O5S
  • Average mass593.658 Da
  • Monoisotopic mass593.217102 Da
  • ChemSpider ID9608189

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[3-(2-{[(2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]-N-[3-(trifluormethyl)benzyl]acetamid [German] [ACD/IUPAC Name]
2-[3-(2-{[(2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]-N-[3-(trifluoromethyl)benzyl]acetamide [ACD/IUPAC Name]
2-[3-(2-{[(2R)-2-Hydroxy-2-{4-hydroxy-3-[(méthylsulfonyl)amino]phényl}éthyl]amino}-2-méthylpropyl)phényl]-N-[3-(trifluorométhyl)benzyl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]-2-methylpropyl]-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.91
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 5.88
ACD/KOC (pH 7.4): 44.23
Polar Surface Area: 136 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 444.5±3.0 cm3

Click to predict properties on the Chemicalize site


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