ChemSpider 2D Image | N-[1-Phenyl-5-(phenylsulfonyl)-3-pentanyl]-N~2~-(1-piperazinylcarbonyl)leucinamide | C28H40N4O4S

N-[1-Phenyl-5-(phenylsulfonyl)-3-pentanyl]-N2-(1-piperazinylcarbonyl)leucinamide

  • Molecular FormulaC28H40N4O4S
  • Average mass528.707 Da
  • Monoisotopic mass528.277039 Da
  • ChemSpider ID21395510

More details:

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

1-Piperazinecarboxamide, N-[3-methyl-1-[[[3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl]amino]carbonyl]butyl]- [ACD/Index Name]
N-[1-Phenyl-5-(phenylsulfonyl)-3-pentanyl]-N2-(1-piperazinylcarbonyl)leucinamid [German] [ACD/IUPAC Name]
N-[1-Phenyl-5-(phenylsulfonyl)-3-pentanyl]-N2-(1-piperazinylcarbonyl)leucinamide [ACD/IUPAC Name]
N-[1-Phényl-5-(phénylsulfonyl)-3-pentanyl]-N2-(1-pipérazinylcarbonyl)leucinamide [French] [ACD/IUPAC Name]
N-{(1r)-3-Phenyl-1-[2-(Phenylsulfonyl)ethyl]propyl}-N2-(Piperazin-1-Ylcarbonyl)-L-Leucinamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 819.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 449.2±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.81
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 23.75
ACD/KOC (pH 7.4): 236.43
Polar Surface Area: 116 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 452.6±3.0 cm3

Click to predict properties on the Chemicalize site


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