ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[cyclohexyl(trifluoroacetyl)amino]-4-(4-methyl-1-piperazinyl)benzoate | C24H34F3N3O3

2-Methyl-2-propanyl 2-[cyclohexyl(trifluoroacetyl)amino]-4-(4-methyl-1-piperazinyl)benzoate

  • Molecular FormulaC24H34F3N3O3
  • Average mass469.540 Da
  • Monoisotopic mass469.255219 Da
  • ChemSpider ID37998370

More details:

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

2-[Cyclohexyl(2,2,2-trifluoroacétyl)amino]-4-(4-méthyl-1-pipérazinyl)benzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[cyclohexyl(trifluoroacetyl)amino]-4-(4-methyl-1-piperazinyl)benzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[cyclohexyl(trifluoracetyl)amino]-4-(4-methyl-1-piperazinyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[cyclohexyl(2,2,2-trifluoroacetyl)amino]-4-(4-methyl-1-piperazinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1108746-08-2 [RN]
tert-butyl 2-[cyclohexyl(trifluoroacetyl)amino]-4-(4-methylpiperazin-1-yl)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: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 17.68
ACD/KOC (pH 5.5): 78.53
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 683.23
ACD/KOC (pH 7.4): 3034.61
Polar Surface Area: 53 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

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