ChemSpider 2D Image | 1-{1-[2-(4-Methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}ethanone | C27H38N4O3

1-{1-[2-(4-Methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}ethanone

  • Molecular FormulaC27H38N4O3
  • Average mass466.616 Da
  • Monoisotopic mass466.294403 Da
  • ChemSpider ID21698466

More details:

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

1-{1-[2-(4-Methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{1-[2-(4-Methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{1-[2-(4-Méthoxyphényl)éthyl]-2,5-diméthyl-1H-pyrrol-3-yl}-2-{4-[2-oxo-2-(1-pyrrolidinyl)éthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.3±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 43.53
ACD/KOC (pH 5.5): 438.98
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.36
ACD/KOC (pH 7.4): 780.16
Polar Surface Area: 58 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 394.4±7.0 cm3

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