ChemSpider 2D Image | 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-[(~2~H_8_)-4-morpholinyl]-1-propanone | C22H14D8ClN5O2S

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-[(2H8)-4-morpholinyl]-1-propanone

  • Molecular FormulaC22H14D8ClN5O2S
  • Average mass464.010 Da
  • Monoisotopic mass463.168488 Da
  • ChemSpider ID48058467

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Propanone, 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl-d8)- [ACD/Index Name]
3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-[(2H8)-4-morpholinyl]-1-propanone [ACD/IUPAC Name]
3-[4-(2-Chlorophényl)-9-méthyl-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépin-2-yl]-1-[(2H8)-4-morpholinyl]-1-propanone [French] [ACD/IUPAC Name]
3-[4-(2-Chlorphenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-[(2H8)-4-morpholinyl]-1-propanon [German] [ACD/IUPAC Name]
1185101-22-7 [RN]
APAFANT-D8

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 720.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 389.4±35.7 °C
    Index of Refraction: 1.734
    Molar Refractivity: 122.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.47
    ACD/KOC (pH 5.5): 312.35
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.50
    ACD/KOC (pH 7.4): 312.91
    Polar Surface Area: 101 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 60.1±7.0 dyne/cm
    Molar Volume: 306.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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