ChemSpider 2D Image | 6-Hydroxy-8-(1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methyl-2-propanyl]amino}ethyl)-2H-1,4-benzoxazin-3(4H)-one | C21H26N2O5

6-Hydroxy-8-(1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methyl-2-propanyl]amino}ethyl)-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC21H26N2O5
  • Average mass386.441 Da
  • Monoisotopic mass386.184174 Da
  • ChemSpider ID24651523

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-hydroxy-8-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]- [ACD/Index Name]
6-Hydroxy-8-(1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methyl-2-propanyl]amino}ethyl)-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-Hydroxy-8-(1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methyl-2-propanyl]amino}ethyl)-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-Hydroxy-8-(1-hydroxy-2-{[1-(4-méthoxyphényl)-2-méthyl-2-propanyl]amino}éthyl)-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
6-Hydroxy-8-[(1S)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-2H-1,4-benzoxazin-3(4H)-one
868049-50-7 [RN]
Olodaterol [INN] [USAN] [Wiki]
Olodaterol Free Base

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.48
Polar Surface Area: 100 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 308.9±3.0 cm3

Click to predict properties on the Chemicalize site


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