ChemSpider 2D Image | SB-590885 | C27H27N5O2

SB-590885

  • Molecular FormulaC27H27N5O2
  • Average mass453.536 Da
  • Monoisotopic mass453.216461 Da
  • ChemSpider ID22376160
  • Double-bond stereo - Double-bond stereo


More details:






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

(Z)-SB-590885
1H-Inden-1-one, 5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-, oxime, (1Z)- [ACD/Index Name]
2-(4-{4-[(1Z)-1-(Hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(4-pyridinyl)-1H-imidazol-2-yl}phenoxy)-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
2-(4-{4-[(1Z)-1-(Hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(4-pyridinyl)-1H-imidazol-2-yl}phenoxy)-N,N-dimethylethanamine [ACD/IUPAC Name]
2-(4-{4-[(1Z)-1-(Hydroxyimino)-2,3-dihydro-1H-indén-5-yl]-5-(4-pyridinyl)-1H-imidazol-2-yl}phénoxy)-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
2-(4-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)-1H-imidazol-2-yl}phenoxy)-N,N-dimethylethanamine
405554-55-4 [RN]
5-(2-(4-(2-Dimethylaminoethoxy)phenyl)-5-(4-pyridinyl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
MFCD16038645 [MDL number]
SB-590885
More...
  • Miscellaneous
    • Chemical Class:

      An <element>N</element>-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1<element>H</element>-imidazol-5-yl]-2,3-dihydro-1<element>H</element>-inden-1-ylidene}hydroxylamine in which the oxi me group has <stereo>Z</stereo> configuration. ChEBI CHEBI:39733
    • Bio Activity:

      MAPK ; MedChem Express HY-10966
      Raf MedChem Express HY-10966

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 691.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.8±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 35.46
ACD/KOC (pH 7.4): 192.57
Polar Surface Area: 87 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 355.9±7.0 cm3

Click to predict properties on the Chemicalize site






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