ChemSpider 2D Image | 2-(1-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide | C27H32ClN5O5

2-(1-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID21290200

More details:

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

2-(1-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)-N-(3-chlor-4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-(1-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide [ACD/IUPAC Name]
2-(1-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)-N-(3-chloro-4-methylphenyl)acetamide
2-(1-{2-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]acétyl}-3-oxo-2-pipérazinyl)-N-(3-chloro-4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
2-Piperazineacetamide, 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]-N-(3-chloro-4-methylphenyl)-3-oxo- [ACD/Index 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: 806.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.5±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 22.67
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.01
ACD/KOC (pH 7.4): 200.09
Polar Surface Area: 103 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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