ChemSpider 2D Image | Methyl (8-{[4-(dimethylsulfamoyl)-1-piperazinyl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate | C20H27N3O7S

Methyl (8-{[4-(dimethylsulfamoyl)-1-piperazinyl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate

  • Molecular FormulaC20H27N3O7S
  • Average mass453.509 Da
  • Monoisotopic mass453.156982 Da
  • ChemSpider ID29343292

More details:

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

(8-{[4-(Diméthylsulfamoyl)-1-pipérazinyl]méthyl}-7-hydroxy-4-méthyl-2-oxo-2H-chromén-3-yl)acétate de méthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-acetic acid, 8-[[4-[(dimethylamino)sulfonyl]-1-piperazinyl]methyl]-7-hydroxy-4-methyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl (8-{[4-(dimethylsulfamoyl)-1-piperazinyl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate [ACD/IUPAC Name]
Methyl-(8-{[4-(dimethylsulfamoyl)-1-piperazinyl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetat [German] [ACD/IUPAC Name]
[8-(4-Dimethylsulfamoyl-piperazin-1-ylmethyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl]-acetic acid methyl ester
1435981-20-6 [RN]
methyl (8-{[4-(dimethylsulfamoyl)piperazin-1-yl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
methyl 2-(8-((4-(N,N-dimethylsulfamoyl)piperazin-1-yl)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
METHYL 2-(8-{[4-(DIMETHYLSULFAMOYL)PIPERAZIN-1-YL]METHYL}-7-HYDROXY-4-METHYL-2-OXO-2H-CHROMEN-3-YL)ACETATE
METHYL 2-(8-{[4-(DIMETHYLSULFAMOYL)PIPERAZIN-1-YL]METHYL}-7-HYDROXY-4-METHYL-2-OXOCHROMEN-3-YL)ACETATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 643.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 342.8±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 112.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.46
    ACD/LogD (pH 5.5): 1.07
    ACD/BCF (pH 5.5): 3.51
    ACD/KOC (pH 5.5): 76.91
    ACD/LogD (pH 7.4): 0.99
    ACD/BCF (pH 7.4): 2.92
    ACD/KOC (pH 7.4): 63.90
    Polar Surface Area: 125 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 68.9±5.0 dyne/cm
    Molar Volume: 314.9±5.0 cm3

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