ChemSpider 2D Image | 5-Cyano-3-(2-ethoxyphenyl)-2-oxo-1-(8-quinolinylsulfonyl)-2,3-dihydro-1H-indol-3-yl 4-(1,3-thiazol-2-yl)-1-piperazinecarboxylate | C34H28N6O6S2

5-Cyano-3-(2-ethoxyphenyl)-2-oxo-1-(8-quinolinylsulfonyl)-2,3-dihydro-1H-indol-3-yl 4-(1,3-thiazol-2-yl)-1-piperazinecarboxylate

  • Molecular FormulaC34H28N6O6S2
  • Average mass680.753 Da
  • Monoisotopic mass680.151184 Da
  • ChemSpider ID9796450

More details:

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

1-(8-Chinolinylsulfonyl)-5-cyan-3-(2-ethoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl-4-(1,3-thiazol-2-yl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-(2-thiazolyl)-, 5-cyano-3-(2-ethoxyphenyl)-2,3-dihydro-2-oxo-1-(8-quinolinylsulfonyl)-1H-indol-3-yl ester [ACD/Index Name]
4-(1,3-Thiazol-2-yl)-1-pipérazinecarboxylate de 5-cyano-3-(2-éthoxyphényl)-2-oxo-1-(8-quinoléinylsulfonyl)-2,3-dihydro-1H-indol-3-yle [French] [ACD/IUPAC Name]
5-Cyano-3-(2-ethoxyphenyl)-2-oxo-1-(8-quinolinylsulfonyl)-2,3-dihydro-1H-indol-3-yl 4-(1,3-thiazol-2-yl)-1-piperazinecarboxylate [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 876.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 484.0±37.1 °C
Index of Refraction: 1.752
Molar Refractivity: 178.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 21.98
ACD/KOC (pH 5.5): 181.60
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 145.97
ACD/KOC (pH 7.4): 1206.13
Polar Surface Area: 183 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 92.8±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

Click to predict properties on the Chemicalize site


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