ChemSpider 2D Image | 5-Chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[4-(5-methyl-4-propionyl-1H-pyrazol-1-yl)phenyl]-1H-indole-3-carboxamide | C29H31ClN6O3

5-Chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[4-(5-methyl-4-propionyl-1H-pyrazol-1-yl)phenyl]-1H-indole-3-carboxamide

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID58114082

More details:

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

1H-Indole-3-carboxamide, 5-chloro-N-[4-[5-methyl-4-(1-oxopropyl)-1H-pyrazol-1-yl]phenyl]-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]- [ACD/Index Name]
5-Chlor-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[4-(5-methyl-4-propionyl-1H-pyrazol-1-yl)phenyl]-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
5-Chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[4-(5-methyl-4-propionyl-1H-pyrazol-1-yl)phenyl]-1H-indole-3-carboxamide [ACD/IUPAC Name]
5-Chloro-1-[2-(4-méthyl-1-pipérazinyl)-2-oxoéthyl]-N-[4-(5-méthyl-4-propionyl-1H-pyrazol-1-yl)phényl]-1H-indole-3-carboxamide [French] [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: 688.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 59.64
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 107.78
ACD/KOC (pH 7.4): 934.36
Polar Surface Area: 92 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 407.3±7.0 cm3

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