ChemSpider 2D Image | N-{3-(3-Cyanophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,4,6-triisopropylbenzenesulfonamide | C30H42N4O5S2

N-{3-(3-Cyanophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,4,6-triisopropylbenzenesulfonamide

  • Molecular FormulaC30H42N4O5S2
  • Average mass602.808 Da
  • Monoisotopic mass602.259644 Da
  • ChemSpider ID8707073

More details:

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

Benzenesulfonamide, N-[1-[(3-cyanophenyl)methyl]-2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2,4,6-tris(1-methylethyl)- [ACD/Index Name]
N-{3-(3-Cyanophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,4,6-triisopropylbenzenesulfonamide [ACD/IUPAC Name]
N-{3-(3-Cyanophényl)-1-[4-(méthylsulfonyl)-1-pipérazinyl]-1-oxo-2-propanyl}-2,4,6-triisopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{3-(3-Cyanphenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,4,6-triisopropylbenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±35.7 °C
Index of Refraction: 1.600
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4677.04
ACD/KOC (pH 5.5): 14741.83
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4656.39
ACD/KOC (pH 7.4): 14676.75
Polar Surface Area: 144 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 472.8±5.0 cm3

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