ChemSpider 2D Image | N-Benzyl-2-({5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}sulfanyl)-N-(2-phenylethyl)acetamide | C27H32N4O3S2

N-Benzyl-2-({5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}sulfanyl)-N-(2-phenylethyl)acetamide

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID10920992

More details:

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

Acetamide, 2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-N-(2-phenylethyl)-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-({5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}sulfanyl)-N-(2-phenylethyl)acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-({5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}sulfanyl)-N-(2-phenylethyl)acetamide [ACD/IUPAC Name]
N-Benzyl-2-({5-[(4-méthyl-1-pipérazinyl)sulfonyl]-2-pyridinyl}sulfanyl)-N-(2-phényléthyl)acétamide [French] [ACD/IUPAC Name]
N-BENZYL-2-({5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PYRIDIN-2-YL}SULFANYL)-N-(2-PHENYLETHYL)ACETAMIDE
N-BENZYL-2-{[5-(4-METHYLPIPERAZIN-1-YLSULFONYL)PYRIDIN-2-YL]SULFANYL}-N-(2-PHENYLETHYL)ACETAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 168.88
ACD/KOC (pH 5.5): 1085.67
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 375.01
ACD/KOC (pH 7.4): 2410.83
Polar Surface Area: 108 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 394.6±5.0 cm3

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