ChemSpider 2D Image | Ethyl 2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-[(2-thienylcarbonyl)amino]benzoate | C21H28N2O5S

Ethyl 2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-[(2-thienylcarbonyl)amino]benzoate

  • Molecular FormulaC21H28N2O5S
  • Average mass420.522 Da
  • Monoisotopic mass420.171906 Da
  • ChemSpider ID34984398

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{(2R)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}-5-[(2-thiénylcarbonyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-[(2-thienylcarbonyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-[(2-thienylcarbonyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-[(2-thienylcarbonyl)amino]benzoat [German] [ACD/IUPAC Name]
90055-97-3 [RN]
tienoxolol [INN] [Wiki]
UNII-44MR81YQ9R

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.81
Polar Surface Area: 125 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

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