ChemSpider 2D Image | 2-Ethyl-6,7-dimethoxy-4-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]carbonyl}-1(2H)-isoquinolinone | C28H35N3O7

2-Ethyl-6,7-dimethoxy-4-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]carbonyl}-1(2H)-isoquinolinone

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID20230846

More details:

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

1(2H)-Isoquinolinone, 2-ethyl-6,7-dimethoxy-4-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
2-Ethyl-6,7-dimethoxy-4-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]carbonyl}-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
2-Éthyl-6,7-diméthoxy-4-{[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]carbonyl}-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
2-Ethyl-6,7-dimethoxy-4-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]carbonyl}-1(2H)-isoquinolinone [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: 704.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.1±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 6.85
ACD/KOC (pH 5.5): 122.09
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.48
ACD/KOC (pH 7.4): 186.67
Polar Surface Area: 90 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 426.9±3.0 cm3

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