ChemSpider 2D Image | Dasatinib Carboxylic Acid | C22H24ClN7O3S

Dasatinib Carboxylic Acid

  • Molecular FormulaC22H24ClN7O3S
  • Average mass501.989 Da
  • Monoisotopic mass501.134979 Da
  • ChemSpider ID10028484

More details:

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

{4-[6-({5-[(2-Chlor-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methyl-4-pyrimidinyl]-1-piperazinyl}essigsäure [German] [ACD/IUPAC Name]
{4-[6-({5-[(2-Chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methyl-4-pyrimidinyl]-1-piperazinyl}acetic acid [ACD/IUPAC Name]
1-Piperazineacetic acid, 4-[6-[[5-[[(2-chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]- [ACD/Index Name]
2-(4-(6-((5-((2-Chloro-6-Methyl-Phenyl)Carbamoyl)Thiazol-2-Yl)Amino)-2-Methyl-Pyrimidin-4-Yl)Piperazin-1-Yl)Acetic Acid
2-{4-[6-({5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methylpyrimidin-4-yl]piperazin-1-yl}acetic acid
910297-53-9 [RN]
Acide {4-[6-({5-[(2-chloro-6-méthylphényl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-méthyl-4-pyrimidinyl]-1-pipérazinyl}acétique [French] [ACD/IUPAC Name]
Dasatinib Carboxylic Acid
[910297-53-9] [RN]
2-(4-(6-((5-((2-Chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazin-1-yl)acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

83FL89EU88 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.695
    Molar Refractivity: 132.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 2.37
    ACD/LogD (pH 5.5): -0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.05
    ACD/LogD (pH 7.4): -0.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.36
    Polar Surface Area: 152 Å2
    Polarizability: 52.4±0.5 10-24cm3
    Surface Tension: 77.9±3.0 dyne/cm
    Molar Volume: 343.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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