ChemSpider 2D Image | [3-(Dimethylsulfamoyl)-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetic acid | C16H21N3O5S

[3-(Dimethylsulfamoyl)-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetic acid

  • Molecular FormulaC16H21N3O5S
  • Average mass367.420 Da
  • Monoisotopic mass367.120178 Da
  • ChemSpider ID27444646

More details:

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

[3-(Dimethylsulfamoyl)-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]chinoxalin-5-yl]essigsäure [German] [ACD/IUPAC Name]
[3-(Dimethylsulfamoyl)-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetic acid [ACD/IUPAC Name]
5H-Pyrido[1,2-a]quinoxaline-5-acetic acid, 3-[(dimethylamino)sulfonyl]-6,6a,7,8,9,10-hexahydro-6-oxo- [ACD/Index Name]
Acide [3-(diméthylsulfamoyl)-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acétique [French] [ACD/IUPAC Name]
{3-[(dimethylamino)sulfonyl]-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl}acetic acid
1101836-50-3 [RN]
2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetic acid
MFCD14281746 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 682.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.1±3.0 kJ/mol
    Flash Point: 366.4±34.3 °C
    Index of Refraction: 1.662
    Molar Refractivity: 91.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 75.4±5.0 dyne/cm
    Molar Volume: 246.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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