ChemSpider 2D Image | Methyl 4-{[2-({4-[N-(adamantan-1-ylacetyl)glycyl]-1-piperazinyl}methyl)-4-chlorophenoxy]methyl}benzoate | C34H42ClN3O5

Methyl 4-{[2-({4-[N-(adamantan-1-ylacetyl)glycyl]-1-piperazinyl}methyl)-4-chlorophenoxy]methyl}benzoate

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID90666631

More details:

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

4-({2-[(4-{N-[2-(Adamantan-1-yl)acétyl]glycyl}-1-pipérazinyl)méthyl]-4-chlorophénoxy}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-chloro-2-[[4-[2-[(2-tricyclo[3.3.1.13,7]dec-1-ylacetyl)amino]acetyl]-1-piperazinyl]methyl]phenoxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-({4-[N-(adamantan-1-ylacetyl)glycyl]-1-piperazinyl}methyl)-4-chlorophenoxy]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-({4-[N-(adamantan-1-ylacetyl)glycyl]-1-piperazinyl}methyl)-4-chlorphenoxy]methyl}benzoat [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: 775.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6191.64
ACD/KOC (pH 5.5): 16070.09
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9207.42
ACD/KOC (pH 7.4): 23897.40
Polar Surface Area: 88 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 481.9±3.0 cm3

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