ChemSpider 2D Image | (2S)-N-[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(1H-tetrazol-1-yl)acetamide | C13H13N7O2S

(2S)-N-[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(1H-tetrazol-1-yl)acetamide

  • Molecular FormulaC13H13N7O2S
  • Average mass331.353 Da
  • Monoisotopic mass331.085144 Da
  • ChemSpider ID26041853

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(1H-tetrazol-1-yl)acetamid [German] [ACD/IUPAC Name]
(2S)-N-[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(1H-tetrazol-1-yl)acetamide [ACD/IUPAC Name]
(2S)-N-[5-(Méthoxyméthyl)-1,3,4-thiadiazol-2-yl]-2-phényl-2-(1H-tétrazol-1-yl)acétamide [French] [ACD/IUPAC Name]
1H-Tetrazole-1-acetamide, N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-α-phenyl-, (αS)- [ACD/Index Name]
(2S)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenyl-2-(1H-tetrazol-1-yl)ethanamide
(2S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
1212361-66-4 [RN]
N-(5-Methoxymethyl-3H-[1,3,4]thiadiazol-2-ylidene)-2-phenyl-2-tetrazol-1-yl-acetamide

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 519.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.3±3.0 kJ/mol
    Flash Point: 268.2±32.9 °C
    Index of Refraction: 1.753
    Molar Refractivity: 87.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.67
    ACD/LogD (pH 5.5): 0.53
    ACD/BCF (pH 5.5): 1.48
    ACD/KOC (pH 5.5): 46.14
    ACD/LogD (pH 7.4): 0.53
    ACD/BCF (pH 7.4): 1.48
    ACD/KOC (pH 7.4): 46.14
    Polar Surface Area: 132 Å2
    Polarizability: 34.5±0.5 10-24cm3
    Surface Tension: 68.1±7.0 dyne/cm
    Molar Volume: 212.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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