ChemSpider 2D Image | 5-(4-Biphenylylmethyl)-5-{3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinone | C31H35N3O2

5-(4-Biphenylylmethyl)-5-{3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinone

  • Molecular FormulaC31H35N3O2
  • Average mass481.629 Da
  • Monoisotopic mass481.272919 Da
  • ChemSpider ID22127062

More details:

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

2-Pyrrolidinone, 5-([1,1'-biphenyl]-4-ylmethyl)-5-[3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl]- [ACD/Index Name]
5-(4-Biphenylylmethyl)-5-{3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-(4-Biphenylylmethyl)-5-{3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinone [ACD/IUPAC Name]
5-(4-Biphénylylméthyl)-5-{3-[4-(2-méthylphényl)-1-pipérazinyl]-3-oxopropyl}-2-pyrrolidinone [French] [ACD/IUPAC 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: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1786.14
ACD/KOC (pH 5.5): 7380.11
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1804.17
ACD/KOC (pH 7.4): 7454.60
Polar Surface Area: 53 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 416.1±3.0 cm3

Click to predict properties on the Chemicalize site


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