ChemSpider 2D Image | (2S,3S)-5-[2-(Dimethylamino)ethyl]-2-[4-methoxy(2-~2~H)phenyl]-4-oxo(2,3-~2~H_2_)-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl (~2~H_3_)acetate | C22H20D6N2O4S

(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-[4-methoxy(2-2H)phenyl]-4-oxo(2,3-2H2)-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl (2H3)acetate

  • Molecular FormulaC22H20D6N2O4S
  • Average mass420.555 Da
  • Monoisotopic mass420.198975 Da
  • ChemSpider ID73989968

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Acétate de (2S,3S)-5-[2-(diméthylamino)éthyl]-2-[4-méthoxy(2-2H)phényl]-4-oxo(2,3-2H2)-2,3,4,5-tétrahydro-1,5-benzothiazépin-3-yle [French] [ACD/IUPAC Name]
(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-[4-methoxy(2-2H)phenyl]-4-oxo(2,3-2H2)-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl (2H3)acetate [ACD/IUPAC Name]
(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-[4-methoxy(2-2H)phenyl]-4-oxo(2,3-2H2)-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, (2S,3S)-5-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-2-(4-methoxyphenyl-2-d)-4-oxo-1,5-benzothiazepin-3-yl-2,3-d2 ester [ACD/Index Name]
1242184-41-3 [RN]
diltiazem-d6

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 594.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.6±3.0 kJ/mol
    Flash Point: 313.3±30.1 °C
    Index of Refraction: 1.621
    Molar Refractivity: 115.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.34
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 10.08
    ACD/KOC (pH 7.4): 74.19
    Polar Surface Area: 84 Å2
    Polarizability: 45.7±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 327.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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