ChemSpider 2D Image | N-[(4-{[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]benzenesulfonamide | C28H39N3O6S

N-[(4-{[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]benzenesulfonamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID17324359

More details:

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

Benzenesulfonamide, N-[[4-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]carbonyl]cyclohexyl]methyl]- [ACD/Index Name]
N-[(4-{[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]benzenesulfonamide [ACD/IUPAC Name]
N-[(4-{[4-(2,3,4-Triméthoxybenzyl)-1-pipérazinyl]carbonyl}cyclohexyl)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
N-[(4-{[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(4-{[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]benzenesulfonamide
N-[[4-[4-(2,3,4-trimethoxybenzyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzenesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 72.37
ACD/KOC (pH 5.5): 659.51
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.81
ACD/KOC (pH 7.4): 1009.89
Polar Surface Area: 106 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 448.7±3.0 cm3

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