ChemSpider 2D Image | DASATINIB-D8 | C22H18D8ClN7O2S

DASATINIB-D8

  • Molecular FormulaC22H18D8ClN7O2S
  • Average mass496.055 Da
  • Monoisotopic mass495.205933 Da
  • ChemSpider ID57558109

  • Non-standard isotope - Non-standard isotope

More details:

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

1132093-70-9 [RN]
5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]-2-methyl-4-pyrimidinyl]amino]- [ACD/Index Name]
DASATINIB-D8
N-(2-Chlor-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)(2H8)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-(2-Chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)(2H8)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]
N-(2-Chloro-6-méthylphényl)-2-({6-[4-(2-hydroxyéthyl)(2H8)-1-pipérazinyl]-2-méthyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
dasatinib d8
N-(2-Chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)(2H8)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.688
    Molar Refractivity: 132.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): -0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 20.97
    ACD/KOC (pH 7.4): 235.14
    Polar Surface Area: 135 Å2
    Polarizability: 52.3±0.5 10-24cm3
    Surface Tension: 73.8±3.0 dyne/cm
    Molar Volume: 346.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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