ChemSpider 2D Image | Ethyl 5-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-{[(4-fluorophenyl)carbamoyl]amino}-2-oxo-3-propyl-3-indolinecarboxylate | C33H38FN5O4

Ethyl 5-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-{[(4-fluorophenyl)carbamoyl]amino}-2-oxo-3-propyl-3-indolinecarboxylate

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID59002057

More details:

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

1H-Indole-3-carboxylic acid, 5-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-[[[(4-fluorophenyl)amino]carbonyl]amino]-2,3-dihydro-2-oxo-3-propyl-, ethyl ester [ACD/Index Name]
5-[4-(2,3-Diméthylphényl)-1-pipérazinyl]-6-{[(4-fluorophényl)carbamoyl]amino}-2-oxo-3-propyl-3-indolinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-{[(4-fluorophenyl)carbamoyl]amino}-2-oxo-3-propyl-3-indolinecarboxylate [ACD/IUPAC Name]
Ethyl-5-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-{[(4-fluorphenyl)carbamoyl]amino}-2-oxo-3-propyl-3-indolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 3692.09
ACD/KOC (pH 5.5): 9065.20
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10977.71
ACD/KOC (pH 7.4): 26953.57
Polar Surface Area: 103 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 462.4±3.0 cm3

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