ChemSpider 2D Image | 2-({3-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-pyrazinyl}sulfanyl)-N-(4-methylbenzyl)acetamide | C26H31N5OS

2-({3-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-pyrazinyl}sulfanyl)-N-(4-methylbenzyl)acetamide

  • Molecular FormulaC26H31N5OS
  • Average mass461.622 Da
  • Monoisotopic mass461.224945 Da
  • ChemSpider ID26308441

More details:

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

2-({3-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-pyrazinyl}sulfanyl)-N-(4-methylbenzyl)acetamid [German] [ACD/IUPAC Name]
2-({3-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-pyrazinyl}sulfanyl)-N-(4-methylbenzyl)acetamide [ACD/IUPAC Name]
2-({3-[4-(2,3-Diméthylphényl)-1-pipérazinyl]-2-pyrazinyl}sulfanyl)-N-(4-méthylbenzyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-pyrazinyl]thio]-N-[(4-methylphenyl)methyl]- [ACD/Index Name]
1031975-59-3 [RN]
2-((3-(4-(2,3-dimethylphenyl)piperazin-1-yl)pyrazin-2-yl)thio)-N-(4-methylbenzyl)acetamide
2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]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: 705.3±60.0 °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: 380.4±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1545.69
ACD/KOC (pH 5.5): 5357.71
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3299.27
ACD/KOC (pH 7.4): 11436.02
Polar Surface Area: 87 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

Click to predict properties on the Chemicalize site


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