ChemSpider 2D Image | Ethyl 3-[(E)-2-amino-1-cyanovinyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | C15H13Cl2N3O2

Ethyl 3-[(E)-2-amino-1-cyanovinyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate

  • Molecular FormulaC15H13Cl2N3O2
  • Average mass338.189 Da
  • Monoisotopic mass337.038483 Da
  • ChemSpider ID22378449

  • Double-bond stereo - Double-bond stereo

More details:

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

1354037-26-5 [RN]
1H-Indole-2-carboxylic acid, 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-, ethyl ester [ACD/Index Name]
3-[(E)-2-Amino-1-cyanovinyl]-6,7-dichloro-1-méthyl-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 3-[(1E)-2-amino-1-cyanoeth-1-en-1-yl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
Ethyl 3-[(E)-2-amino-1-cyanovinyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-[(E)-2-amino-1-cyanvinyl]-6,7-dichlor-1-methyl-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 3-(2-amino-1-cyanovinyl)-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
[1354037-26-5] [RN]
1354448-60-4 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CDK MedChem Express HY-12828
      Cell Cycle/DNA Damage; MedChem Express HY-12828
      KH-CB19 is a potent and highly specific inhibitor of the CDC2-like kinase isoforms 1 and 4 (CLK1/CLK4). MedChem Express

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 85.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.87
ACD/KOC (pH 5.5): 2028.77
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 292.92
ACD/KOC (pH 7.4): 2029.08
Polar Surface Area: 81 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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