ChemSpider 2D Image | Hydroxymethyl Dasatinib | C22H26ClN7O3S

Hydroxymethyl Dasatinib

  • Molecular FormulaC22H26ClN7O3S
  • Average mass504.005 Da
  • Monoisotopic mass503.150635 Da
  • ChemSpider ID10029006

More details:

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

5-Thiazolecarboxamide, N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]- [ACD/Index Name]
910297-58-4 [RN]
Hydroxymethyl Dasatinib
N-(2-CHLORO-6-(HYDROXYMETHYL)PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-5-THIAZOLECARBOXAMIDE
N-[2-Chlor-6-(hydroxymethyl)phenyl]-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]
N-[2-Chloro-6-(hydroxyméthyl)phényl]-2-({6-[4-(2-hydroxyéthyl)-1-pipérazinyl]-2-méthyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
N-(2-chloro-6-methylol-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide
N-[2-CHLORO-6-(HYDROXYMETHYL)PHENYL]-2-[[6-[4-(2-HYDROXYETHYL)-(PIPERAZIN-1-YL)]-2-METHYL-PYRIMIDIN-4-YL]AMINO]-5-THIAZOLECARBOXAMIDE
N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

O4S6Z9X0XS [DBID]
UNII:O4S6Z9X0XS [DBID]
UNII-O4S6Z9X0XS [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: 1.705
    Molar Refractivity: 133.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 0.60
    ACD/LogD (pH 5.5): -1.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.20
    ACD/KOC (pH 7.4): 46.80
    Polar Surface Area: 155 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 81.1±3.0 dyne/cm
    Molar Volume: 343.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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