ChemSpider 2D Image | (2R)-1-[(2-Methyl-1H-indol-4-yl)oxy]-3-[(2-methyl-2-propanyl)amino]-2-propanyl benzoate | C23H28N2O3

(2R)-1-[(2-Methyl-1H-indol-4-yl)oxy]-3-[(2-methyl-2-propanyl)amino]-2-propanyl benzoate

  • Molecular FormulaC23H28N2O3
  • Average mass380.480 Da
  • Monoisotopic mass380.209991 Da
  • ChemSpider ID32809855
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-[(2-Methyl-1H-indol-4-yl)oxy]-3-[(2-methyl-2-propanyl)amino]-2-propanyl benzoate [ACD/IUPAC Name]
(2R)-1-[(2-Methyl-1H-indol-4-yl)oxy]-3-[(2-methyl-2-propanyl)amino]-2-propanyl-benzoat [German] [ACD/IUPAC Name]
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester), (2R)- [ACD/Index Name]
62697-43-2 [RN]
Benzoate de (2R)-1-[(2-méthyl-1H-indol-4-yl)oxy]-3-[(2-méthyl-2-propanyl)amino]-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
(R)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]-2-benzoyloxypropane
(R)-bopindolol
62658-63-3 [RN]
Bopindolol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

86A9F5821S [DBID]
UNII:86A9F5821S [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 8.92
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 26.66
ACD/KOC (pH 7.4): 98.97
Polar Surface Area: 63 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 332.7±3.0 cm3

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