ChemSpider 2D Image | (2S)-3-[(2-Methyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol | C13H24N4O3S

(2S)-3-[(2-Methyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID27524502

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-[(2-Methyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol [German] [ACD/IUPAC Name]
(2S)-3-[(2-Methyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol [ACD/IUPAC Name]
(2S)-3-[(2-Méthyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol [French] [ACD/IUPAC Name]
158636-96-5 [RN]
1-Propanol, 3-[(1,1-dimethylethyl)amino]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)- [ACD/Index Name]
(2S)-3-(tert-butylamino)-2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
(2S)-3-(tert-butylamino)-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
(S)-Isotimolol
59697-06-2 [RN]
Isotimolol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 484.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.0±3.0 kJ/mol
    Flash Point: 246.9±28.7 °C
    Index of Refraction: 1.549
    Molar Refractivity: 82.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -1.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.63
    Polar Surface Area: 108 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 52.5±3.0 dyne/cm
    Molar Volume: 258.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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