ChemSpider 2D Image | 2H7QR56HZY | C19H26N2O4S

2H7QR56HZY

  • Molecular FormulaC19H26N2O4S
  • Average mass378.486 Da
  • Monoisotopic mass378.161316 Da
  • ChemSpider ID34986735

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H7QR56HZY
Methanesulfonamide, N-[5-[(1S)-2-[(1,1-dimethyl-2-phenylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]- [ACD/Index Name]
N-(2-Hydroxy-5-{(1S)-1-hydroxy-2-[(2-methyl-1-phenyl-2-propanyl)amino]ethyl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(2-Hydroxy-5-{(1S)-1-hydroxy-2-[(2-méthyl-1-phényl-2-propanyl)amino]éthyl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(2-Hydroxy-5-{(1S)-1-hydroxy-2-[(2-methyl-1-phenyl-2-propanyl)amino]ethyl}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
37000-20-7 [RN]
UNII-7167N7AJJR
Zinterol [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 301.1±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.89
Polar Surface Area: 107 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 295.0±3.0 cm3

Click to predict properties on the Chemicalize site


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