ChemSpider 2D Image | 4-{2-[(4-Butoxy-3-ethoxybenzoyl)amino]-3-oxo-3-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)propyl}phenyl acetate | C41H54N4O6

4-{2-[(4-Butoxy-3-ethoxybenzoyl)amino]-3-oxo-3-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)propyl}phenyl acetate

  • Molecular FormulaC41H54N4O6
  • Average mass698.891 Da
  • Monoisotopic mass698.404358 Da
  • ChemSpider ID121075448

More details:

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

4-{2-[(4-Butoxy-3-ethoxybenzoyl)amino]-3-oxo-3-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)propyl}phenyl acetate [ACD/IUPAC Name]
4-{2-[(4-Butoxy-3-ethoxybenzoyl)amino]-3-oxo-3-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)propyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{2-[(4-butoxy-3-éthoxybenzoyl)amino]-3-oxo-3-({[1-(4-phényl-1-pipérazinyl)cyclohexyl]méthyl}amino)propyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[(4-butoxy-3-ethoxybenzoyl)amino]-N-[[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 842.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 463.6±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 198.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 240.97
ACD/KOC (pH 5.5): 522.82
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 8985.34
ACD/KOC (pH 7.4): 19495.06
Polar Surface Area: 109 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 605.3±3.0 cm3

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