ChemSpider 2D Image | 1-[3-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinyl]-3,3-dimethyl-1-butanone | C31H43N3O6

1-[3-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinyl]-3,3-dimethyl-1-butanone

  • Molecular FormulaC31H43N3O6
  • Average mass553.690 Da
  • Monoisotopic mass553.315186 Da
  • ChemSpider ID22610562

More details:

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

1-[3-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinyl]-3,3-dimethyl-1-butanon [German] [ACD/IUPAC Name]
1-[3-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinyl]-3,3-dimethyl-1-butanone [ACD/IUPAC Name]
1-[3-{[4-(2-Méthoxyphényl)-1-pipérazinyl]carbonyl}-4-(3,4,5-triméthoxyphényl)-1-pyrrolidinyl]-3,3-diméthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[3-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinyl]-3,3-dimethyl- [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: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.45
ACD/KOC (pH 5.5): 1884.90
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.93
ACD/KOC (pH 7.4): 1888.32
Polar Surface Area: 81 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

Click to predict properties on the Chemicalize site


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