ChemSpider 2D Image | N-[3-Methyl-1-(4-octanoyl-1-piperazinyl)-1-oxo-2-pentanyl]-4-(2-methyl-2-propanyl)benzenesulfonamide | C28H47N3O4S

N-[3-Methyl-1-(4-octanoyl-1-piperazinyl)-1-oxo-2-pentanyl]-4-(2-methyl-2-propanyl)benzenesulfonamide

  • Molecular FormulaC28H47N3O4S
  • Average mass521.755 Da
  • Monoisotopic mass521.328735 Da
  • ChemSpider ID4318745

More details:

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

Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[2-methyl-1-[[4-(1-oxooctyl)-1-piperazinyl]carbonyl]butyl]- [ACD/Index Name]
N-[3-Methyl-1-(4-octanoyl-1-piperazinyl)-1-oxo-2-pentanyl]-4-(2-methyl-2-propanyl)benzenesulfonamide [ACD/IUPAC Name]
N-[3-Méthyl-1-(4-octanoyl-1-pipérazinyl)-1-oxo-2-pentanyl]-4-(2-méthyl-2-propanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[3-Methyl-1-(4-octanoyl-1-piperazinyl)-1-oxo-2-pentanyl]-4-(2-methyl-2-propanyl)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32751.60
ACD/KOC (pH 5.5): 59372.04
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32636.45
ACD/KOC (pH 7.4): 59163.29
Polar Surface Area: 95 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 478.6±3.0 cm3

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