ChemSpider 2D Image | N-(4-{4-[2-(Diethylamino)-1-(3,4-difluorophenyl)-2-oxoethyl]-1-piperazinyl}-3-fluorophenyl)-2-ethylbutanamide | C28H37F3N4O2

N-(4-{4-[2-(Diethylamino)-1-(3,4-difluorophenyl)-2-oxoethyl]-1-piperazinyl}-3-fluorophenyl)-2-ethylbutanamide

  • Molecular FormulaC28H37F3N4O2
  • Average mass518.614 Da
  • Monoisotopic mass518.286865 Da
  • ChemSpider ID31125079

More details:

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

1-Piperazineacetamide, α-(3,4-difluorophenyl)-N,N-diethyl-4-[4-[(2-ethyl-1-oxobutyl)amino]-2-fluorophenyl]- [ACD/Index Name]
N-(4-{4-[2-(Diethylamino)-1-(3,4-difluorophenyl)-2-oxoethyl]-1-piperazinyl}-3-fluorophenyl)-2-ethylbutanamide [ACD/IUPAC Name]
N-(4-{4-[2-(Diéthylamino)-1-(3,4-difluorophényl)-2-oxoéthyl]-1-pipérazinyl}-3-fluorophényl)-2-éthylbutanamide [French] [ACD/IUPAC Name]
N-(4-{4-[2-(Diethylamino)-1-(3,4-difluorphenyl)-2-oxoethyl]-1-piperazinyl}-3-fluorphenyl)-2-ethylbutanamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 132.11
ACD/KOC (pH 5.5): 531.48
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1673.50
ACD/KOC (pH 7.4): 6732.59
Polar Surface Area: 56 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


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