ChemSpider 2D Image | Methyl 4-{[2-{4-[(cyclohexylmethyl)carbamoyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoate | C30H41N3O5

Methyl 4-{[2-{4-[(cyclohexylmethyl)carbamoyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoate

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID22737543

More details:






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

4-{[2-{4-[(Cyclohexylméthyl)carbamoyl]-1-pipérazinyl}-1-(3-méthoxyphényl)éthoxy]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[4-[[(cyclohexylmethyl)amino]carbonyl]-1-piperazinyl]-1-(3-methoxyphenyl)ethoxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-{4-[(cyclohexylmethyl)carbamoyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-{4-[(cyclohexylmethyl)carbamoyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 686.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1276.18
ACD/KOC (pH 5.5): 3518.11
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7059.21
ACD/KOC (pH 7.4): 19460.57
Polar Surface Area: 80 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 455.6±3.0 cm3

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