ChemSpider 2D Image | 2,3-Bis(4-methoxyphenyl)-4-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinolinone | C33H32N4O4

2,3-Bis(4-methoxyphenyl)-4-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC33H32N4O4
  • Average mass548.632 Da
  • Monoisotopic mass548.242371 Da
  • ChemSpider ID13131132

More details:

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

1(2H)-Isoquinolinone, 3,4-dihydro-2,3-bis(4-methoxyphenyl)-4-[[4-(2-pyridinyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
2,3-Bis(4-methoxyphenyl)-4-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
2,3-Bis(4-méthoxyphényl)-4-{[4-(2-pyridinyl)-1-pipérazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
2,3-Bis(4-methoxyphenyl)-4-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC 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: 768.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.4±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 13.60
ACD/KOC (pH 5.5): 47.46
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 250.75
ACD/KOC (pH 7.4): 875.13
Polar Surface Area: 75 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 433.5±3.0 cm3

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