ChemSpider 2D Image | 2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | C32H38N2O5

2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID3483539

More details:






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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[[1-[3-[2-(1,1-dimethylethyl)-4-methoxyphenoxy]-2-hydroxypropyl]-4-piperidinyl]methyl]- [ACD/Index Name]
2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(1-{2-Hydroxy-3-[4-méthoxy-2-(2-méthyl-2-propanyl)phénoxy]propyl}-4-pipéridinyl)méthyl]-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
2-((1-(3-(2-(tert-butyl)-4-methoxyphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[[1-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
2-{1-[3-(2-tert-Butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-piperidin-4-ylmethyl}-benzo[de]isoquinoline-1,3-dione
420832-00-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 700.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.7±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 9.20
ACD/KOC (pH 5.5): 27.55
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 358.18
ACD/KOC (pH 7.4): 1072.15
Polar Surface Area: 79 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 438.9±3.0 cm3

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