ChemSpider 2D Image | 2-(((5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl)methyl)thio)acetic acid | C12H17N3O4S

2-(((5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl)methyl)thio)acetic acid

  • Molecular FormulaC12H17N3O4S
  • Average mass299.346 Da
  • Monoisotopic mass299.093964 Da
  • ChemSpider ID21800369

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

({[5-(1-Azepanylcarbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid [ACD/IUPAC Name]
({[5-(1-Azepanylcarbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
({[5-(azepan-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid
({[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid
1119449-69-2 [RN]
2-(((5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl)methyl)thio)acetic acid
2-({[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid
Acetic acid, 2-[[[5-[(hexahydro-1H-azepin-1-yl)carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]- [ACD/Index Name]
Acide ({[5-(1-azépanylcarbonyl)-1,2,4-oxadiazol-3-yl]méthyl}sulfanyl)acétique [French] [ACD/IUPAC Name]
(([5-(AZEPAN-1-YLCARBONYL)-1,2,4-OXADIAZOL-3-YL]METHYL)THIO)ACETIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12026884 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 496.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.5±3.0 kJ/mol
    Flash Point: 254.1±31.5 °C
    Index of Refraction: 1.581
    Molar Refractivity: 73.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -1.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 122 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 66.0±3.0 dyne/cm
    Molar Volume: 219.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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