ChemSpider 2D Image | Nalpha-(2-Bromo-3,4,5-trimethoxybenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}tyrosinamide | C36H45BrN4O6

Nα-(2-Bromo-3,4,5-trimethoxybenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}tyrosinamide

  • Molecular FormulaC36H45BrN4O6
  • Average mass709.670 Da
  • Monoisotopic mass708.252258 Da
  • ChemSpider ID121010904

More details:

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

Benzenepropanamide, α-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4-hydroxy-N-[[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl]- [ACD/Index Name]
Nα-(2-Brom-3,4,5-trimethoxybenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}tyrosinamid [German] [ACD/IUPAC Name]
Nα-(2-Bromo-3,4,5-trimethoxybenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}tyrosinamide [ACD/IUPAC Name]
Nα-(2-Bromo-3,4,5-triméthoxybenzoyl)-N-{[1-(4-phényl-1-pipérazinyl)cyclohexyl]méthyl}tyrosinamide [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: 805.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 441.0±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 185.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 19.33
ACD/KOC (pH 5.5): 85.24
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 727.52
ACD/KOC (pH 7.4): 3208.47
Polar Surface Area: 113 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 540.3±3.0 cm3

Click to predict properties on the Chemicalize site


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