ChemSpider 2D Image | Methyl 4-(4-ethyl-1-piperazinyl)-3-[(4-isobutoxybenzoyl)amino]benzoate | C25H33N3O4

Methyl 4-(4-ethyl-1-piperazinyl)-3-[(4-isobutoxybenzoyl)amino]benzoate

  • Molecular FormulaC25H33N3O4
  • Average mass439.547 Da
  • Monoisotopic mass439.247101 Da
  • ChemSpider ID21864487

More details:

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

4-(4-Éthyl-1-pipérazinyl)-3-[(4-isobutoxybenzoyl)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-ethyl-1-piperazinyl)-3-[[4-(2-methylpropoxy)benzoyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-(4-ethyl-1-piperazinyl)-3-[(4-isobutoxybenzoyl)amino]benzoate [ACD/IUPAC Name]
Methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-isobutoxybenzoyl)amino]benzoate
methyl 4-(4-ethylpiperazin-1-yl)-3-{[4-(2-methylpropoxy)benzoyl]amino}benzoate
Methyl-4-(4-ethyl-1-piperazinyl)-3-[(4-isobutoxybenzoyl)amino]benzoat [German] [ACD/IUPAC Name]
4-(4-Ethyl-piperazin-1-yl)-3-(4-isobutoxy-benzoylamino)-benzoic acid methyl ester
methyl 4-(4-ethylpiperazin-1-yl)-3-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)benzoate
METHYL 4-(4-ETHYLPIPERAZIN-1-YL)-3-[4-(2-METHYLPROPOXY)BENZAMIDO]BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.6±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 12.08
ACD/KOC (pH 5.5): 60.20
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 461.61
ACD/KOC (pH 7.4): 2300.68
Polar Surface Area: 71 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 381.0±3.0 cm3

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