ChemSpider 2D Image | 5-{4-[2-({4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}amino)-2-oxoethoxy]phenyl}-N-methyl-2-pyridinecarboxamide | C29H32F3N5O3

5-{4-[2-({4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}amino)-2-oxoethoxy]phenyl}-N-methyl-2-pyridinecarboxamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID58880513

More details:

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

2-Pyridinecarboxamide, 5-[4-[2-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]-2-oxoethoxy]phenyl]-N-methyl- [ACD/Index Name]
5-{4-[2-({4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}amino)-2-oxoethoxy]phenyl}-N-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-{4-[2-({4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}amino)-2-oxoethoxy]phenyl}-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
5-{4-[2-({4-[(4-Éthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}amino)-2-oxoéthoxy]phényl}-N-méthyl-2-pyridinecarboxamide [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: 725.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.3±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 29.99
ACD/KOC (pH 7.4): 283.85
Polar Surface Area: 87 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 438.3±3.0 cm3

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