ChemSpider 2D Image | 2-[4-(2-Methyl-6-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolidinyl)quinoxaline | C27H29N7

2-[4-(2-Methyl-6-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolidinyl)quinoxaline

  • Molecular FormulaC27H29N7
  • Average mass451.566 Da
  • Monoisotopic mass451.248444 Da
  • ChemSpider ID34732961

More details:

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

2-[4-(2-Methyl-6-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolidinyl)chinoxalin [German] [ACD/IUPAC Name]
2-[4-(2-Methyl-6-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolidinyl)quinoxaline [ACD/IUPAC Name]
2-[4-(2-Méthyl-6-phényl-4-pyrimidinyl)-1-pipérazinyl]-3-(1-pyrrolidinyl)quinoxaline [French] [ACD/IUPAC Name]
Quinoxaline, 2-[4-(2-methyl-6-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolidinyl)- [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: 691.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 12.29
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 397.06
ACD/KOC (pH 7.4): 2140.61
Polar Surface Area: 61 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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